COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886399
Chemical Name: N-(4-butylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)Cl

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Molecular Weight: 534.12
Empirical Formula: C30H32ClN3O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.057
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 107
Number of rings: 4

     

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