
 CHEMBL3618198

 63 67  0  0  0  0  0  0  0  0999 V2000
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    0.7244    2.4829    4.0145 H   0  0  0  0  0
    1.3261    4.8665    4.0078 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3618198

>  <PubChem CID>
122190864

>  <Formula>
C29H25F2N3O4

>  <Molecular Weight>
517.533000

>  <IUPAC Name>
N-[3-(4-fluorophenoxy)-5-pyridin-4-yloxyphenyl]-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)NC3=CC(=CC(=C3)OC4=CC=NC=C4)OC5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)NC3=CC(=CC(=C3)OC4=CC=NC=C4)OC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C29H25F2N3O4/c30-21-3-1-20(2-4-21)29(36)11-15-34(16-12-29)28(35)33-23-17-26(37-24-7-5-22(31)6-8-24)19-27(18-23)38-25-9-13-32-14-10-25/h1-10,13-14,17-19,36H,11-12,15-16H2,(H,33,35)

>  <InChI Key>
JNQJEJOYNMPQBZ-UHFFFAOYSA-N

