
 CHEMBL209089

 71 75  0  0  0  0  0  0  0  0999 V2000
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    6.5227    3.0965   -6.7359 C   0  0  0  0  0
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    7.3085    3.2500   -9.0155 C   0  0  0  0  0
    6.1084    2.6888   -9.4556 C   0  0  0  0  0
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    5.8982    2.4628  -10.8573 C   0  0  0  0  0
    5.7393    2.2772  -11.9893 N   0  0  0  0  0
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    1.9601    2.5643   -0.1361 H   0  0  0  0  0
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    0.0582    3.2788   -5.2325 H   0  0  0  0  0
   -0.7554    3.6189   -3.7075 H   0  0  0  0  0
   -2.8771    3.7112   -3.6066 H   0  0  0  0  0
   -4.3196    2.1687   -6.7301 H   0  0  0  0  0
   -7.4177    4.5209   -3.6452 H   0  0  0  0  0
   -5.0077    4.4284   -3.0944 H   0  0  0  0  0
    1.7006   -0.0145   -5.6094 H   0  0  0  0  0
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    8.4483    3.8883   -7.3041 H   0  0  0  0  0
    8.0851    3.5290   -9.7252 H   0  0  0  0  0
    4.1711    1.9389   -8.8990 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL209089

>  <PubChem CID>
20608975

>  <Formula>
C32H33F2N3O

>  <Molecular Weight>
513.633000

>  <IUPAC Name>
3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,4-difluorophenyl)propanamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(C1)N2CCC(CC2)(CCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

>  <Isomeric SMILES>
C1CCC(C1)N2CCC(CC2)(CCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

>  <InChI Std. ID>
InChI=1S/C32H33F2N3O/c33-29-13-12-27(21-30(29)34)36-31(38)14-15-32(16-18-37(19-17-32)28-6-1-2-7-28)26-10-8-24(9-11-26)25-5-3-4-23(20-25)22-35/h3-5,8-13,20-21,28H,1-2,6-7,14-19H2,(H,36,38)

>  <InChI Key>
DIRDEJWHHBAMET-UHFFFAOYSA-N

