
 CHEMBL3618200

 69 73  0  0  0  0  0  0  0  0999 V2000
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    0.0997    1.2056    2.0269 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3618200

>  <PubChem CID>
90309510

>  <Formula>
C30H27F2N3O6S

>  <Molecular Weight>
595.618000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

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

>  <InChI Std. ID>
InChI=1S/C30H27F2N3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39)

>  <InChI Key>
CZCDHQVZWHDWFG-UHFFFAOYSA-N

