CGS-12066   

GtoPdb Ligand ID: 109

Synonyms: CGS 12066 | CGS 12066B | CGS-12066A | CGS-12066B | CGS12066
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 23.78
Molecular weight 334.14
XLogP 4.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F
Isomeric SMILES CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F
InChI InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
InChI Key LXFHSCDLMBZYKY-UHFFFAOYSA-N