COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885723
Chemical Name: N-[(1Z)-3-(2-chlorophenyl)-2-cyano-1-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Smiles: CCOc1ccc(cc1)NC(=O)CS/C(=C(/C(c1ccccc1Cl)CC(=O)c1ccccc1)\C#N)/NC(=O)c1ccccc1

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Molecular Weight: 624.16
Empirical Formula: C35H30ClN3O4S

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 8.64
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 4

     

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