COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK039983
Chemical Name: 2-(benzylsulfanyl)-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 434.99
Empirical Formula: C25H23ClN2OS

Physical State: Dry powder
Available Amount: 540 mg

Lipinsky:
logP: 5.455
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 4

     

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