COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026379
Chemical Name: 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C

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Molecular Weight: 441.02
Empirical Formula: C23H21ClN2OS2

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 5.133
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 106
Number of rings: 4

     

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