COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025827
Chemical Name: ethyl3-(3-{(1E)-2-cyano-3-[(2,4-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Smiles: CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C(/C(=O)Nc1ccc(cc1Cl)Cl)\C#N

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Molecular Weight: 482.37
Empirical Formula: C25H21Cl2N3O3

Physical State: Dry powder
Available Amount: 232 mg

Lipinsky:
logP: 7.186
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 84
Number of rings: 3

     

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