mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCC)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-hexadecenyl and (8Z,11Z,14Z)-icosatrienoyl respectively. It has the role of mouse metabolite. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](CO)OC(CCCCCCC)=O)O)O)O)CO</smiles> is A 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol in which the octanoyl group is located at position 2. It is also related to or classified as 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol .
The molecule <smiles>N(C([C@H]([C@H](CC)C)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is an L-isoleucine derivative that is the amide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of 2-naphthylamine. It has the role of chromogenic compound.   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-isoleucine derivative.
The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-octadecenyl and (8Z,11Z,14Z)-icosatrienoyl respectively. It has the role of mouse metabolite. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>N(C([C@H](CC(C)C)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is an L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of L-leucine with the amino group of 2-naphthylamine. It has the role of chromogenic compound.   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-leucine derivative.
The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1</smiles> is A C-glycosyl compound that is apigenin substituted by beta-D-glucopyranosyl and an alpha-L-arabinopyranosyl moieties at positions 6 and 8 via C-glycosidic linkages. It has the role of antioxidant. It has the role of antinematodal drug. Its functional parent is apigenin. It is also related to or classified as C-glycosyl compound, trihydroxyflavone.
The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z,11Z)-octadecadienyl and linoleoyl respectively. It has the role of mouse metabolite. Its functional parent is linoleic acid. It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-octadecenyl and hexadecanoyl respectively. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z,9Z)-octadecadienyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-octadecenyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively. It has the role of mouse metabolite. Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid. It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> is A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as (11Z)-icosenoyl. It has the role of mouse metabolite. Its functional parent is (11Z)-icos-11-enoic acid. It is also related to or classified as sphingomyelin d18:1 . It is also related to or classified as sphingomyelin 38:2 .
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)NC(=O)C)O[C@]5(O[C@]([C@H](NC(=O)C)[C@H](C5)O)([C@@H]([C@H](O)CO)O)[H])C(O)=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCCCCC)O)O</smiles> is an alpha-NeuNAc-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-NeuNAc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as henicosanoyl. It is also related to or classified as alpha-NeuNAc-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-NeuNAc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer .
The molecule <smiles>N(C([C@H](CCCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is an L-lysine derivative that is the amide obtained by formal condensation of the carboxy group of L-lysine with the amino group of 2-naphthylamine. It has the role of chromogenic compound.   It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as amino acid amide, L-lysine derivative.
The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](CO)OC(CCCCCCC)=O)O)O)O)CO[C@@H]2[C@H](O)[C@@H](O)[C@H]([C@H](O2)CO)O</smiles> is A glycoglycerolipid that consists of 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-sn-glycerol in which the glycerol portion is acylated at position 2 by an octanoyl group. It is also related to or classified as glycoglycerolipid, disaccharide derivative.
The molecule <smiles>O[C@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]1O)O)CO</smiles> is A beta-D-galactosyl-(1<->1')-N-acylsphinganine in which the acyl group is specified as octadecanoyl. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as beta-D-galactosyl-(1<->1')-N-acylsphinganine .
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)OC[C@H]6O[C@@H]([C@@H]([C@H]([C@H]6O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO[C@]%11(O[C@]([C@@H]([C@H](C%11)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is an undecasaccharide derivative in which two N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl pentasaccharide chains are linked (1->3) and (1->6) to an N-acetyl-alpha-D-galactosamine residue at the reducing end. It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@H](O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)CO)O)[H])(C(O)=O)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H]([C@H]5O)O)CO)CO)O[C@H]6[C@@H]([C@H]([C@@H](O)[C@H](O6)CO)O[C@H]7[C@@H]([C@@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@H](O)CO)O)[H])C(O)=O)[C@H]([C@H](O7)CO)O)O)NC(C)=O</smiles> is an alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as tetracosanoyl. It is also related to or classified as alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer .
The molecule <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@]9(O[C@]([C@@H]([C@H](C9)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@@H]%10[C@H]([C@H]([C@@H]([C@H](O%10)CO)O)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O[C@H]%14[C@@H]([C@H]([C@H]([C@H](O%14)CO)O)O[C@H]%15[C@@H]([C@H]([C@@H]([C@H](O%15)CO)O[C@H]%16[C@@H]([C@H]([C@H]([C@H](O%16)CO)O)O[C@]%17(O[C@]([C@@H]([C@H](C%17)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@H]%18[C@@H]([C@H]([C@@H](O[C@@H]%18CO)O[C@H]%19[C@@H]([C@H](C(O[C@@H]%19CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is an nonadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked linked (1->3) and (1->6) two N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear octasaccharide units. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>O[C@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@@H]([C@H]1O)O)CO</smiles> is A beta-D-galactosyl-(1<->1')-N-acylsphinganine in which the acyl group is specified as (15Z)-tetracosenoyl. It has the role of mouse metabolite. Its functional parent is (15Z)-tetracosenoic acid. It is also related to or classified as beta-D-galactosyl-(1<->1')-N-acylsphinganine .
The molecule <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO[C@]%13(O[C@]([C@@H]([C@H](C%13)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@H]%14[C@@H]([C@H]([C@@H](O[C@@H]%14CO)O[C@H]%15[C@@H]([C@H](C(O[C@@H]%15CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a pentadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked linked (1->3) and (1->6) two N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear hexasaccharide units. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>C(CCCCCCCCCC)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> is an N-acylsphinganine-1-phosphocholine in which the ceramide N-acyl group is specified as nonadecanoyl. Its functional parent is nonadecanoic acid. It is also related to or classified as N-acylsphinganine-1-phosphocholine . It is also related to or classified as sphingomyelin 37:0 .
The molecule <smiles>O(C[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]1[C@@H]([C@H]([C@@H](O)[C@@H](CO)O1)O)O</smiles> is A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the 1- and 2-acyl groups are specified as oleoyl and palmitoyl respectively. It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol .
The molecule <smiles>COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1</smiles> is A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone. It has the role of platelet aggregation inhibitor. It has the role of bone density conservation agent. Its functional parent is amentoflavone. It is also related to or classified as hydroxyflavone, methoxyflavone, ring assembly, biflavonoid.
The molecule <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO[C@]9(O[C@]([C@@H]([C@H](C9)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@@H]%10[C@H]([C@H]([C@@H]([C@H](O%10)CO)O)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O[C@H]%14[C@@H]([C@H]([C@H]([C@H](O%14)CO)O)O[C@H]%15[C@@H]([C@H]([C@@H]([C@H](O%15)CO)O[C@H]%16[C@@H]([C@H]([C@H]([C@H](O%16)CO[C@]%17(O[C@]([C@@H]([C@H](C%17)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@H]%18[C@@H]([C@H]([C@@H](O[C@@H]%18CO)O[C@H]%19[C@@H]([C@H](C(O[C@@H]%19CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a nonadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked linked (1->3) and (1->6) two N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear octasaccharide units. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>O(C[C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[C@H]1[C@@H]([C@H]([C@@H](O)[C@@H](CO)O1)O)O</smiles> is A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are both linoleoyl (9Z,12Z-octadecadienoyl). It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol .
The molecule <smiles>N=1C=CC=C2C1OC=3C2=NC(=NC3N4CCOCC4)C=5C=CC=C(O)C5</smiles> is an organic heterotricyclic compound that is pyrido[3',2':4,5]furo[3,2-d]pyrimidine substituted at positions 2 and 4 by 3-hydroxyphenyl and morpholin-4-yl groups respectively. A dual-kinase inhibitor with anti-cancer properties. It has the role of antineoplastic agent. It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It has the role of mTOR inhibitor.  It is also related to or classified as phenols . It is also related to or classified as organic heterotricyclic compound, aromatic amine, morpholines, tertiary amino compound.
The molecule <smiles>[Cl-].C1=CC(C=CC1=[N+](C)C)=C(C=2C=3C=CC=CC3C(=CC2)NCC)C=4C=CC(=CC4)N(C)C</smiles> is an iminium salt composed of 4-{[4-(dimethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as iminium salt, organic chloride salt.
The molecule <smiles>C1=CC(C=CC1=[N+](C)C)=C(C=2C=3C=CC=CC3C(=CC2)NCC)C=4C=CC(=CC4)N(C)C</smiles> is an iminium ion that forms the cationic portion of the histological dye 'victoria blue R'. It is also related to or classified as iminium ion.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]([C@H]([C@H](CO)O)O)COP(=O)(O)O</smiles> is A disaccharide phosphate consisting of 2-O-(N-acetyl-beta-D-glucosaminyl)ribitol phosphorylated at O-1 of the ribitol residue; a ligand epitope of Staphylococcus aureus. It has the role of epitope. Its functional parent is 4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-D-ribitol. It is also related to or classified as disaccharide phosphate.
The molecule <smiles>[Na+].C=1(C(=CC=CC1)NC=2C=CC(=CC2)\C(=C/3\C=C/C(/C=C3)=N/C=4C=CC=CC4)\C=5C=C(C(=CC5)N)C)S([O-])(=O)=O</smiles> is an organic sodium salt having 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate as the counterion. It is used for staining elastic fibres. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic sodium salt, organosulfonate salt.
The molecule <smiles>[H][C@@]12CC[C@@](C)(O)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCCC2(C)C</smiles> is A labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. It has the role of antimicrobial agent. It has the role of antifungal agent. It has the role of fragrance. It has the role of apoptosis inducer. It has the role of plant metabolite. It is also related to or classified as labdane diterpenoid.
The molecule <smiles>C1(=C(C2=CNC3=C2C=CC=C3)C(=O)NC1=O)C4=NC(N5CCN(CC5)C)=NC6=C4C=CC=C6</smiles> is A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. It has the role of anticoronaviral agent. It has the role of immunosuppressive agent. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor. It is also related to or classified as indoles, quinazolines, N-alkylpiperazine, N-arylpiperazine, maleimides.
The molecule <smiles>CC1=CC=C(C(=O)NC2CC2)C=C1C3=CC=C(C=C3)C(=O)NCC4CC4</smiles> is A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is also related to or classified as benzamides, biphenyls, dicarboxylic acid diamide, cyclopropanes.
The molecule <smiles>O([C@@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O)O)O)O)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]5(O[C@]([C@@H]([C@H](C5)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)CO)O)[H])C(=O)O)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(C)=O</smiles> is A branched amino heptasaccharide consisting of a linear tetrasaccharide of beta-D-galactose, N-acetyl-beta-D-galactosamine, beta-D-galactose and beta-D-glucose residues linked sequentially (1->3), (1->4) and (1->4), to the galactose residue proximal to the reducing end is also linked (2->3) an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl trisaccharide side-chain.  The carbohydrate moiety of ganglioside GT1c. It is also related to or classified as galactosamine oligosaccharide, amino heptasaccharide.
The molecule <smiles>C=1(F)C=CC=CC1NC2=NC3=C(N=C(N=C3)NC4=CC=C(C=C4)OC)N2C5CCCC5</smiles> is A member of the class of purines that is carrying 9-cyclopentyl-9H-purine-2,8-diamine in which the amino groups at positions 2 and 8 are carrying 4-methoxyphenyl and 2-fluorophenyl substituents respectively. It has the role of c-Jun N-terminal kinase inhibitor.      It is also related to or classified as monofluorobenzenes . It is also related to or classified as cyclopentanes, monomethoxybenzene, purines, substituted aniline, secondary amino compound.
The molecule <smiles>FC=1C=CC(SC2=NN3C(C=C2)=C(C(=O)N=C3)C=4C(Cl)=CC=CC4Cl)=C(C1)F</smiles> is A member of the class of pyrimidopyridazines that is 6H-pyrimido[1,6-b]pyridazin-6-one substituted at positions 2 and 5 by (2,4-difluorophenyl)sulfanyl and 2,6-dichlorophenyl groups respectively. It has the role of anti-inflammatory drug. It has the role of apoptosis inducer. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is also related to or classified as dichlorobenzene .  It is also related to or classified as difluorobenzene . It is also related to or classified as aryl sulfide, pyrimidopyridazine.
The molecule <smiles>C1=CC2=C(C=C1NCCN3CCOCC3)C(=NO2)C4=CC(=C(C=C4O)O)Cl</smiles> is A member of the class of 1,2-benzoxazoles carrying 2,4-dihydroxy-4-chlorophenyl and (2-morpholin-4-ylethyl)amino substituents at positions 3 and 5 respectively. It has the role of Hsp90 inhibitor. It is also related to or classified as resorcinols, aromatic amine, morpholines, secondary amino compound, tertiary amino compound, 1,2-benzoxazoles, monochlorobenzenes.
The molecule <smiles>C=1(C(=CC(C=2N=NSC2C3=CC=C(C=C3)OCC)=C(C1)O)Cl)O</smiles> is A member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively. It has the role of Hsp90 inhibitor. It is also related to or classified as resorcinols, aromatic ether, thiadiazoles, monochlorobenzenes.
The molecule <smiles>C(C1=CC=C(C=C1)C2=CN=C3NC=C(C4=CC=CC(NC(=O)NC5=CC=CC=C5OC6=CC=CC=C6)=C4)C3=C2)N</smiles> is A member of the class of phenylureas obtained by formal condensation of the carboxy group of (3-{5-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl}phenyl)carbamic acid with the amino group of 2-phenoxyaniline. An inhibitor of tyrosine kinase. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is also related to or classified as phenylureas, aromatic ether, pyrrolopyridine, primary amino compound.
The molecule <smiles>C=1(C(=CC=CC1)NC=2C=CC(=CC2)\C(=C/3\C=C/C(/C=C3)=N/C=4C=CC=CC4)\C=5C=C(C(=CC5)N)C)S(O)(=O)=O</smiles> is an aminobenzenesulfonic acid that is 2-aminobenzenesulfonic acid in which one of the amino hydrogens is replaced by a 4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl} group. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate. It is also related to or classified as imine . It is also related to or classified as aminobenzenesulfonic acid, substituted aniline, olefinic compound.