
 CHEMBL57589

 68 70  0  0  0  0  0  0  0  0999 V2000
    3.0823    7.5793    1.5010 C   0  0  0  0  0
    3.0281    6.8142    0.2137 C   0  0  0  0  0
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   14.4259    5.6035   -8.2475 Cl  0  0  0  0  0
   13.1891    2.6289   -8.7030 Cl  0  0  0  0  0
    4.0285    7.3820    2.0135 H   0  0  0  0  0
    2.2707    7.2455    2.1538 H   0  0  0  0  0
    2.9721    8.6477    1.3016 H   0  0  0  0  0
    5.0235    6.8218   -2.3095 H   0  0  0  0  0
    3.3530    6.2611   -2.2538 H   0  0  0  0  0
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    5.7012    4.8977   -0.8149 H   0  0  0  0  0
    4.1198    3.9462   -3.2702 H   0  0  0  0  0
    5.9077    5.6480   -3.8836 H   0  0  0  0  0
    6.1115    4.0733   -4.6017 H   0  0  0  0  0
    8.2601    4.9771   -3.7092 H   0  0  0  0  0
    7.5832    5.1147   -2.1237 H   0  0  0  0  0
    7.2025    1.4629   -1.6154 H   0  0  0  0  0
    6.9741    3.0020   -0.8386 H   0  0  0  0  0
    5.3994    1.9306   -3.2304 H   0  0  0  0  0
    4.8093    2.1546   -1.5951 H   0  0  0  0  0
    7.3452    2.1173   -4.4652 H   0  0  0  0  0
    8.5399    1.2932   -3.4937 H   0  0  0  0  0
    8.9840    3.6778   -5.3301 H   0  0  0  0  0
    9.5004    2.0270   -5.5471 H   0  0  0  0  0
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   11.5847    2.0244   -6.5077 H   0  0  0  0  0
   13.4534    6.5620   -5.7859 H   0  0  0  0  0
   11.9557    5.5884   -4.0979 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 36  1  0  0  0
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  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
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  6  7  1  0  0  0
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 31 67  1  0  0  0
 32 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL57589

>  <PubChem CID>
22405761

>  <Formula>
C27H34Cl2N2O3

>  <Molecular Weight>
505.480000

>  <IUPAC Name>
2-[1-[4-[benzoyl(methyl)amino]-3-(3,4-dichlorophenyl)butyl]piperidin-4-yl]ethyl acetate

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)OCCC1CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CC(=O)OCCC1CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C27H34Cl2N2O3/c1-20(32)34-17-13-21-10-14-31(15-11-21)16-12-24(23-8-9-25(28)26(29)18-23)19-30(2)27(33)22-6-4-3-5-7-22/h3-9,18,21,24H,10-17,19H2,1-2H3

>  <InChI Key>
ABDVJDWAZPTZIF-UHFFFAOYSA-N

