COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757014
Chemical Name: methyl2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2

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Molecular Weight: 486.45
Empirical Formula: C25H21F3N2O5

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 2.809
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 91
Number of rings: 5

     

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