CP-293019   

GtoPdb Ligand ID: 977

Synonyms: CP 293019 | CP293019
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 41.49
Molecular weight 360.18
XLogP 3.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)OCC1CCC2N(C1)CCN(C2)c1ncc(cn1)F
Isomeric SMILES Fc1ccc(cc1)OC[C@@H]1CC[C@@H]2N(C1)CCN(C2)c1ncc(cn1)F
InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1
InChI Key QXWNESOGWFJDFR-PBHICJAKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(7R,9aS)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
Synonyms
CP 293019 | CP293019
Database Links
BindingDB Ligand 50069041
ChEMBL Ligand CHEMBL66227
GtoPdb PubChem SID 135650126
PubChem CID 9820261
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