COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886056
Chemical Name: 2-methoxyethyl6-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCCCC(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 567.15
Empirical Formula: C31H35ClN2O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.016
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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