COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599683
Chemical Name: 2-{[3-cyano-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N=C2C(=C(O)CCC2)C1c1ccc(c(c1)OC)O

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Molecular Weight: 506.54
Empirical Formula: C25H22N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.723
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 186
Number of rings: 4

     

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