
 SCHEMBL7917696

 54 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL7917696

>  <PubChem CID>
46212134

>  <Formula>
C24H22FN5O2

>  <Molecular Weight>
431.471000

>  <IUPAC Name>
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CCC(CN1C(=O)C2=CC=CC=C2N3N=CC=N3)OC4=C5C=CC=C(C5=NC=C4)F

>  <Isomeric SMILES>
C[C@@H]1CC[C@H](CN1C(=O)C2=CC=CC=C2N3N=CC=N3)OC4=C5C=CC=C(C5=NC=C4)F

>  <InChI Std. ID>
InChI=1S/C24H22FN5O2/c1-16-9-10-17(32-22-11-12-26-23-19(22)6-4-7-20(23)25)15-29(16)24(31)18-5-2-3-8-21(18)30-27-13-14-28-30/h2-8,11-14,16-17H,9-10,15H2,1H3/t16-,17-/m1/s1

>  <InChI Key>
BVUZOFDSUCGTDO-IAGOWNOFSA-N

