COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040336
Chemical Name: 2-[(4-chlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1ccc(cc1)OC)C(=O)CCC2

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Molecular Weight: 436.96
Empirical Formula: C24H21ClN2O2S

Physical State: Dry powder
Available Amount: 272 mg

Lipinsky:
logP: 4.337
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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