Molecule ID: 24797084

IUPAC Name: [3-[4-bromo-2,3-dichloro-5-(2-hydroxybenzoyl)pyrrol-1-yl]-4,5-dichloro-1H-pyrrol-2-yl]-(2-hydroxyphenyl)methanone

Description: The molecule is a member of the class of pyrroles that is 1'H-1,3'-bipyrrole substituted by a bromo group at position 3, four chloro groups at positions 4, 4', 5 and 5' and two 2-hydroxybenzoyl moieties at positions 2 and 2'. It is isolated from Streptomyces sp.CNQ-418 and exhibits cytotoxic and antibacterial activities. It has a role as an antimicrobial agent, an antibacterial agent, a bacterial metabolite and a marine metabolite. It is an organochlorine compound, a member of phenols, a member of pyrroles, an organobromine compound and an aromatic ketone.

SMILES: O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)c(Br)c1C(=O)c1ccccc1O

SELFIES: [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][NH1][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=Ring1][#Branch1][N][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Br][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]

InChI: InChI=1S/C22H11BrCl4N2O4/c23-13-14(24)22(27)29(17(13)20(33)10-6-2-4-8-12(10)31)18-15(25)21(26)28-16(18)19(32)9-5-1-3-7-11(9)30/h1-8,28,30-31H

Molecular Properties:
- Polar Surface Area: 95.3 Ų
- LogP: 8.7