COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK842052
Chemical Name: 2-[(2-chlorobenzyl)sulfanyl]-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

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Molecular Weight: 475.82
Empirical Formula: C23H17Cl3N2OS

Physical State: Dry powder
Available Amount: 353 mg

Lipinsky:
logP: 5.487
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 4

     

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