Molecule ID: 10089048

IUPAC Name: N-cyclopropyl-4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

Description: The molecule is a member of the class of biphenyls that is biphenyl in which one of the phenyl groups is substituted at positions 2and 4 by a methyl and a 5-methyl-1,3,4-oxadiazol-2-yl groups, respectively, while the other phenyl group is substituted at positions 2 and 5 by a methyl and an N-(cyclopropyl)aminocarbohyl group, respectively. An inhibitor of p38-alpha MAP kinase. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of biphenyls, a member of 1,3,4-oxadiazoles, a monocarboxylic acid amide, a member of cyclopropanes and a ring assembly.

SMILES: Cc1nnc(-c2ccc(-c3cc(C(O)=NC4CC4)ccc3C)c(C)c2)o1

SELFIES: [C][C][=N][N][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][O][C][Branch1][C][O][=N][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][N][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)

Molecular Properties:
- Polar Surface Area: 68.0 Ų
- LogP: 4.0