COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549263
Chemical Name: 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

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Molecular Weight: 537.64
Empirical Formula: C31H27N3O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 3.311
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 127
Number of rings: 5

     

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