
 CHEMBL3589950

 75 79  0  0  0  0  0  0  0  0999 V2000
    2.3242   -0.1559   -1.4379 C   0  0  0  0  0
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    6.7380    6.2157    2.5960 N   0  0  0  0  0
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    9.6165    8.7314    3.8935 H   0  0  0  0  0
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    6.0057   12.7566    2.6475 H   0  0  0  0  0
    9.8374   12.1963    0.8298 H   0  0  0  0  0
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    8.6443    9.7044    8.2914 H   0  0  0  0  0
    6.8913    9.9347    8.2864 H   0  0  0  0  0
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    8.4462   15.5787    8.3873 H   0  0  0  0  0
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    3.0456    6.2007   -2.4917 H   0  0  0  0  0
    1.4347    5.9901   -1.7648 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3589950

>  <PubChem CID>
122181236

>  <Formula>
C32H33F5N2O3

>  <Molecular Weight>
588.619000

>  <IUPAC Name>
2-(4-fluorophenyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC2=C(C=C1)C3(CCN(CC3)CCC(C4=CC=C(C=C4)F)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F)OCC2

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)C3(CCN(CC3)CCC(C4=CC=C(C=C4)F)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F)OCC2

>  <InChI Std. ID>
InChI=1S/C32H33F5N2O3/c1-41-27-6-7-29-23(18-27)9-15-42-31(29)10-13-39(14-11-31)12-8-28(22-2-4-25(33)5-3-22)30(40)38-20-21-16-24(32(35,36)37)19-26(34)17-21/h2-7,16-19,28H,8-15,20H2,1H3,(H,38,40)

>  <InChI Key>
JBPGVGKLUHRKDA-UHFFFAOYSA-N

