COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826893
Chemical Name: benzyl6-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCCCC(=O)c2ccc(cc2)C(C)(C)C)NC(=C(C1c1ccccc1Cl)C(=O)OCc1ccccc1)C

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Molecular Weight: 599.19
Empirical Formula: C35H35ClN2O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.796
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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