COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885922
Chemical Name: benzyl4-(4-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

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Molecular Weight: 549.48
Empirical Formula: C29H22Cl2N2O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.771
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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