COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544336
Chemical Name: 2- [(4- chlorobenzyl)sulfanyl]- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

Download SD file Download MOL file View 3D-structure Show MSDS

Molecular Weight: 475.82
Empirical Formula: C23H17Cl3N2OS

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 5.487
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 4

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