
 CHEMBL3401385

 76 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3401385

>  <PubChem CID>
90309100

>  <Formula>
C31H36FN3O5

>  <Molecular Weight>
549.643000

>  <IUPAC Name>
N-[3-(2-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3C(=O)N)OC4=CC=C(C=C4)F)O

>  <Isomeric SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3C(=O)N)OC4=CC=C(C=C4)F)O

>  <InChI Std. ID>
InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-23-17-25(39-24-11-9-22(32)10-12-24)19-26(18-23)40-28-8-6-5-7-27(28)29(33)36/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)

>  <InChI Key>
OOEWZQSZRIHFOW-UHFFFAOYSA-N

