Compound: SR142948A
SMILES: O=C(N(CCCN(C)C)C)c1cc(c(-n2nc(C(=O)NC3(C(=O)O)C4CC5CC(C4)CC3C5)cc2-c6c(OC)cccc6OC)cc1)C(C)C
InChIKey: LWULHXVBLMWCHO-UHFFFAOYSA-N
Synonyms: SR142948A, SR 142948A, SR-142948A, 2-((5-(2,6-dimethoxyphenyl)-1-(4-(3-dimethylaminopropyl-methylcarbamoyl)-2-propan-2-ylphenyl)pyrazole-3-carbonyl)amino)adamantane-2-carboxylic acid, 2-[[5-(2,6-dimethoxyphenyl)-1-[4-(3-dimethylaminopropyl-methylcarbamoyl)-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid, RefChem:932143, 184162-64-9, SR 142948, 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid, 2-[[[5-(2,6-DIMETHOXYPHENYL)-1-[4-[[[3-(DIMETHYLAMINO)PROPYL]METHYLAMINO]CARBONYL]-2-(1-METHYLETHYL)PHENYL]-1H-PYRAZOL-3-YL]CARBONYL]AMINO]-TRICYCLO[3.3.1.13,7]DECANE-2-CARBOXYLIC ACID, CHEMBL2431105, 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, SR-142948, 2-(((5-(2,6-Dimethoxyphenyl)-1-(4-(((3-(dimethylamino)propyl)methylamino)carbonyl)-2-(1-methylethyl)phenyl)-1H-pyrazol-3-yl)carbonyl)amino)tricyclo(3.3.1.13,7)decane-2-carboxylic acid, 2-[[[5-(2,6-Dimethoxyphenyl)-1-[4-[[[3-(dimethylamino)propyl]methylamino]carbonyl]-2-(1-methylethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid, 184162-64-9 (free base), W59C8B2MZS, GTPL1580, orb1704042, SCHEMBL7558783, CHEMBL3040381, SCHEMBL29399789, BDBM85050, CHEBI:93589, DTXSID50415529, LWULHXVBLMWCHO-UHFFFAOYSA-N, GLXC-04231, HMS3268L04, HMS3740A03, JHA16264, BDBM50440738, EX-A15149, MFCD03106493, PDSP1_001736, PDSP2_001719, AKOS024457043, NCGC00167732-01, NCGC00167732-04, DA-58064, MS-32571, SR142948, HY-107664, CAS_184162-64-9, CS-0029137, E98719, MLS-0437457.0001, L015605, Q7392758, BRD-K91243525-001-01-5, 2-[(5-(2,6-Dimethoxy-phenyl)-1-{4-[(3-dimethylamino-propyl)-methyl-carbamoyl]-2-isopropyl-phenyl}-1H-pyrazole-3-carbonyl)-amino]-adamantane-2-carboxylic acid dihydrochloride, 2-[[[5-(2,6-Dimethoxyphenyl)-1-[4-[[[3-(dimethylamino)propyl]methylamino]carbonyl]-2-(1-methylethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]-tricyclo[3.3.1.13,7]decane-2-carboxylic Acid;, 2-[5-(2,6-dimethoxyphenyl)-1-[4-[N-methyl-N-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl]-3-pyrazolylcarbonylamino]-2-adamantanecarboxylic acid, 2-{5-(2,6-Dimethoxyphenyl)-1-[4-{[3-(dimethylamino)propyl](methyl)carbamoyl}-2-(propan-2-yl)phenyl]-1H-pyrazole-3-carboxamido}adamantane-2-carboxylic acid, Q6N, Tricyclo(3.3.1.13,7)decane-2-carboxylic acid, 2-(((5-(2,6-dimethoxyphenyl)-1-(4-(((3-(dimethylamino)propyl)methylamino)carbonyl)-2-(1-methylethyl)phenyl)-1H-pyrazol-3-yl)carbonyl)amino)-
Theoretical properties:
molecular_formula: C39H51N5O6
molecular_weight: 685.9 g/mol
exact_mass: 685.38393436 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 13
heavy_atom_count: 50
topological_polar_surface_area: 126 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2-[[[5-(2,6-dimethoxyphenyl)-1-[4-[[3-(dimethylamino)propyl-methylamino]-oxomethyl]-2-propan-2-ylphenyl]-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid is a N-acyl-amino acid.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.