COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886036
Chemical Name: benzyl6-[(2-chlorobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

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Molecular Weight: 521.47
Empirical Formula: C28H22Cl2N2O2S

Physical State: Dry powder
Available Amount: 29 mg

Lipinsky:
logP: 6.703
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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