COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185245
Chemical Name: (3-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)aceticacid
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CC(=O)O)/C(=O)Nc1ccc(c(c1)Cl)C

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Molecular Weight: 393.83
Empirical Formula: C21H16ClN3O3

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 4.455
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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