COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887413
Chemical Name: tert-butyl6-[(4-chlorobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

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Molecular Weight: 487.45
Empirical Formula: C25H24Cl2N2O2S

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 6.455
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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