COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537549
Chemical Name: N-[(1Z)-1-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-3-(2-chlorophenyl)-2-cyano-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Smiles: N#C/C(=C(/NC(=O)c1ccccc1)\SCC(=O)Nc1cc(OC)c(cc1OC)Cl)/C(c1ccccc1Cl)CC(=O)c1ccccc1

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Molecular Weight: 674.6
Empirical Formula: C35H29Cl2N3O5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 9.362
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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