COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826545
Chemical Name: 2-{[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
Smiles: N#CC1=C(SCC(=O)NCCc2ccc(cc2)OC)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 546.65
Empirical Formula: C29H30N4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.093
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 162
Number of rings: 4

     

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