COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185212
Chemical Name: 4-(3-{(1E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoicacid
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(cc1C)C(=O)O)C)/C(=O)Nc1cccc(c1C)Cl

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Molecular Weight: 447.92
Empirical Formula: C25H22ClN3O3

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 6.672
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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