
 CHEMBL360614

 67 70  0  0  0  0  0  0  0  0999 V2000
    6.4897   -2.3939    0.1286 C   0  0  0  0  0
    5.0579   -2.6317    0.2727 N   0  0  0  0  0
    4.6411   -3.9284    0.8147 C   0  0  0  0  0
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    2.6134  -10.0964    2.6283 Cl  0  0  0  0  0
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    5.5130    0.8744   -2.4072 C   0  0  0  0  0
    5.0968    2.0626   -1.8041 C   0  0  0  0  0
    4.3413    2.0262   -0.6316 C   0  0  0  0  0
    4.0153    0.7993   -0.0506 C   0  0  0  0  0
    6.7899   -2.6177   -0.8976 H   0  0  0  0  0
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    3.3625   -4.6014   -0.7759 H   0  0  0  0  0
    6.2829   -5.5282   -0.8254 H   0  0  0  0  0
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    3.9145   -6.1321   -2.6796 H   0  0  0  0  0
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    6.3109   -4.4607   -3.8077 H   0  0  0  0  0
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    6.0839    0.9074   -3.3318 H   0  0  0  0  0
    5.3476    3.0189   -2.2582 H   0  0  0  0  0
    3.9995    2.9517   -0.1767 H   0  0  0  0  0
    3.4126    0.7711    0.8559 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2 28  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
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  4 20  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL360614

>  <PubChem CID>
44394115

>  <Formula>
C29H32Cl2N2O2

>  <Molecular Weight>
511.487000

>  <IUPAC Name>
N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-N-methylbenzamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)(C2=CC=CC=C2)O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(C[C@H](CCN1CCC(CC1)(C2=CC=CC=C2)O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3/t24-/m0/s1

>  <InChI Key>
KBIKENJDJYPBNS-DEOSSOPVSA-N

