COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826501
Chemical Name: benzyl4-(4-chlorophenyl)-5-cyano-6-[(2-{[2-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C(=O)OC)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

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Molecular Weight: 588.08
Empirical Formula: C31H26ClN3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.224
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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