COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754900
Chemical Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 516.91
Empirical Formula: C25H20ClF3N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.524
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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