COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755184
Chemical Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C

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Molecular Weight: 481.47
Empirical Formula: C26H22F3N3O3

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 3.988
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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