COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572937
Chemical Name: butyl{[3-cyano-4-(2,3-dichlorophenyl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C(C2=C(CCCC2=N1)O)c1cccc(c1Cl)Cl)C#N

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Molecular Weight: 465.4
Empirical Formula: C22H22Cl2N2O3S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 6.591
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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