COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538582
Chemical Name: benzyl6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

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Molecular Weight: 545.06
Empirical Formula: C30H25ClN2O4S

Physical State: Dry powder
Available Amount: 426 mg

Lipinsky:
logP: 6.599
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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