COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887440
Chemical Name: propyl{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)Cl

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Molecular Weight: 444.98
Empirical Formula: C23H25ClN2O3S

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 5.16
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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