
 CHEMBL419112

 68 70  0  0  0  0  0  0  0  0999 V2000
   11.0942   -5.9977    0.2334 C   0  0  0  0  0
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    9.2462    1.3811   -6.4623 O   0  0  0  0  0
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   10.8889    5.8019   -7.5160 N   0  0  0  0  0
   10.1079    6.9817   -4.8155 Cl  0  0  0  0  0
   11.8900   -6.2044    0.9577 H   0  0  0  0  0
   11.0800   -6.8245   -0.4840 H   0  0  0  0  0
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   12.3318   -4.7601   -0.9705 H   0  0  0  0  0
   10.1179   -5.2962   -2.1526 H   0  0  0  0  0
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    8.5007   -4.6805   -0.4202 H   0  0  0  0  0
   10.1633   -2.1589    1.6469 H   0  0  0  0  0
    9.5868   -3.8028    1.6177 H   0  0  0  0  0
   11.9681   -2.6737    0.0586 H   0  0  0  0  0
   12.0272   -3.7974    1.3964 H   0  0  0  0  0
   10.5581   -1.5204   -1.1571 H   0  0  0  0  0
    9.5093   -0.6630   -0.0357 H   0  0  0  0  0
    7.5791   -1.0952   -1.6847 H   0  0  0  0  0
    8.8030   -1.6843   -2.8197 H   0  0  0  0  0
   10.0475    0.5726   -2.3876 H   0  0  0  0  0
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    7.3767    0.3811   -3.8483 H   0  0  0  0  0
    9.0138    0.3660   -4.4809 H   0  0  0  0  0
    8.9080    4.8164   -3.4838 H   0  0  0  0  0
   10.2865    3.3194   -7.9898 H   0  0  0  0  0
   10.6123    1.3129   -8.0863 H   0  0  0  0  0
    9.8670   -0.1726   -7.6129 H   0  0  0  0  0
   12.4467    2.3214   -6.4685 H   0  0  0  0  0
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   10.8268   -1.6393   -6.0120 H   0  0  0  0  0
   12.7949   -4.5199   -4.7680 H   0  0  0  0  0
   12.8180   -3.5802   -6.2680 H   0  0  0  0  0
   11.3411   -3.6362   -5.2326 H   0  0  0  0  0
   16.3993    2.5317   -4.5634 H   0  0  0  0  0
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   15.7031    1.2639   -3.5486 H   0  0  0  0  0
   10.7485    5.6085   -8.5018 H   0  0  0  0  0
   10.7741    6.7894   -7.2915 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
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  3 39  1  0  0  0
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 32 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL419112

>  <PubChem CID>
19081853

>  <Formula>
C26H35ClN2O4

>  <Molecular Weight>
475.026000

>  <IUPAC Name>
1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(4-methylpiperidin-1-yl)pentan-1-one

>  <XlogP>
4.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CCN(CC1)CCCCC(=O)C2=CC(=C(C=C2OCC3=CC(=CC(=C3)OC)OC)N)Cl

>  <Isomeric SMILES>
CC1CCN(CC1)CCCCC(=O)C2=CC(=C(C=C2OCC3=CC(=CC(=C3)OC)OC)N)Cl

>  <InChI Std. ID>
InChI=1S/C26H35ClN2O4/c1-18-7-10-29(11-8-18)9-5-4-6-25(30)22-15-23(27)24(28)16-26(22)33-17-19-12-20(31-2)14-21(13-19)32-3/h12-16,18H,4-11,17,28H2,1-3H3

>  <InChI Key>
FTFGBSBKFGHMRC-UHFFFAOYSA-N

