Molecule ID: 5083

IUPAC Name: 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate

Description: The molecule is an imidothiocarbamic ester, a member of indoles and a member of maleimides. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor. It derives from a maleimide.

SMILES: Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)N=C2O)c2ccccc21

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

InChI: InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: 3.0