
 CHEMBL3618197

 68 72  0  0  0  0  0  0  0  0999 V2000
   -0.9219    2.6028    1.0471 C   0  0  0  0  0
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    0.2832    0.9244    2.5073 H   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3618197

>  <PubChem CID>
90309056

>  <Formula>
C31H27F2N3O5

>  <Molecular Weight>
559.570000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C31H27F2N3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38)

>  <InChI Key>
PYCXRHMPCACDKT-UHFFFAOYSA-N

