
 CHEMBL41677

 75 78  0  0  0  0  0  0  0  0999 V2000
   11.8178    4.6997   -2.8533 C   0  0  0  0  0
   10.7732    3.7455   -2.3565 C   0  0  0  0  0
   10.5192    2.5500   -3.0347 C   0  0  0  0  0
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    6.2766    1.4089   -1.3760 C   0  0  0  0  0
    5.2849    1.7107   -0.4279 C   0  0  0  0  0
    3.9924    2.0612   -0.8281 C   0  0  0  0  0
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    8.0149   -0.4560   -1.1446 C   0  0  0  0  0
    7.7596   -1.0673   -2.1807 O   0  0  0  0  0
    8.6815   -1.0525   -0.0833 N   0  0  0  0  0
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   10.6147   -2.4269   -0.7338 C   0  0  0  0  0
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   10.0626   -8.1044   -6.3642 C   0  0  0  0  0
   10.3334   -6.7687   -6.6383 C   0  0  0  0  0
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   14.1026   -5.9552   -4.1140 C   0  0  0  0  0
   15.0327   -5.2583   -3.7244 O   0  0  0  0  0
   14.2635   -7.0034   -4.9687 O   0  0  0  0  0
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   12.5620    4.1850   -3.4703 H   0  0  0  0  0
   12.3524    5.1571   -2.0141 H   0  0  0  0  0
   11.3516    5.4878   -3.4524 H   0  0  0  0  0
   11.0901    2.2898   -3.9234 H   0  0  0  0  0
    9.3583    0.7557   -3.1442 H   0  0  0  0  0
    8.4123    3.4746    0.0797 H   0  0  0  0  0
   10.1558    5.0071   -0.7146 H   0  0  0  0  0
    7.6934    1.1627    0.1795 H   0  0  0  0  0
    5.5069    1.6739    0.6362 H   0  0  0  0  0
    3.2435    2.2823   -0.0710 H   0  0  0  0  0
    4.4022    1.8291   -4.1950 H   0  0  0  0  0
    6.6680    1.2086   -3.4973 H   0  0  0  0  0
    1.6909    1.5547   -2.7773 H   0  0  0  0  0
    2.2825    3.0500   -3.5462 H   0  0  0  0  0
    1.7611    3.0789   -1.8621 H   0  0  0  0  0
    9.0289   -0.4647    0.6638 H   0  0  0  0  0
    8.5247   -3.0073   -0.7929 H   0  0  0  0  0
    9.1792   -2.8178    0.8447 H   0  0  0  0  0
   11.2762   -1.8474   -0.0771 H   0  0  0  0  0
   10.6169   -1.9274   -1.7091 H   0  0  0  0  0
   10.4822   -4.4206   -1.5521 H   0  0  0  0  0
   11.0137   -4.3425    0.1220 H   0  0  0  0  0
   12.8747   -5.7154   -0.1453 H   0  0  0  0  0
   14.1670   -5.2793   -1.2226 H   0  0  0  0  0
   13.0393   -7.2326   -2.0800 H   0  0  0  0  0
   11.4598   -6.4731   -1.9533 H   0  0  0  0  0
   12.6473   -3.8207   -4.6648 H   0  0  0  0  0
   11.1890   -4.1239   -3.7299 H   0  0  0  0  0
   13.9374   -3.3322   -2.6808 H   0  0  0  0  0
   12.4984   -2.3835   -2.6769 H   0  0  0  0  0
   11.8116   -8.4592   -3.4929 H   0  0  0  0  0
   10.4019   -9.7419   -5.0130 H   0  0  0  0  0
    9.4479   -8.6878   -7.0440 H   0  0  0  0  0
    9.9286   -6.3064   -7.5350 H   0  0  0  0  0
   11.3373   -4.9881   -6.0484 H   0  0  0  0  0
   15.6495   -8.2817   -5.7619 H   0  0  0  0  0
   16.3411   -7.0816   -4.6586 H   0  0  0  0  0
   15.7920   -6.5951   -6.3014 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
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  4  5  2  0  0  0
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  7 44  1  0  0  0
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  9 10  2  0  0  0
  9 14  1  0  0  0
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 37 75  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL41677

>  <PubChem CID>
44288485

>  <Formula>
C32H38N2O3

>  <Molecular Weight>
498.667000

>  <IUPAC Name>
methyl 1-[3-[[2,2-bis(4-methylphenyl)acetyl]amino]propyl]-4-phenylpiperidine-4-carboxylate

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)

>  <InChI Key>
BGURRFIDCHOENU-UHFFFAOYSA-N

