
 CHEMBL3184264

 63 67  0  0  0  0  0  0  0  0999 V2000
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    2.4637    0.5478    1.8631 C   0  0  0  0  0
    3.8452    0.5589    1.5307 O   0  0  0  0  0
   -0.2997   -2.4143    0.5685 H   0  0  0  0  0
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    1.5009    0.9396   -0.7076 H   0  0  0  0  0
    2.9160   -0.1115   -0.7801 H   0  0  0  0  0
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    3.1070   -4.3059   -1.7755 H   0  0  0  0  0
    5.5087   -0.4653   -3.8026 H   0  0  0  0  0
    3.1631   -0.2190   -3.1164 H   0  0  0  0  0
    7.5038   -1.8649   -4.0849 H   0  0  0  0  0
    7.4552   -5.9672   -2.7605 H   0  0  0  0  0
    5.1393   -5.7163   -2.0607 H   0  0  0  0  0
    9.6856   -2.0369   -3.4645 H   0  0  0  0  0
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    2.3677    0.2811    2.9209 H   0  0  0  0  0
    2.0813    1.5664    1.7380 H   0  0  0  0  0
    4.2071   -0.3212    1.7359 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
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  2 38  1  0  0  0
  3  4  1  0  0  0
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  3 39  1  0  0  0
  4  5  1  0  0  0
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  4 41  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
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 34 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3184264

>  <PubChem CID>
60210815

>  <Formula>
C30H29NO3

>  <Molecular Weight>
451.566000

>  <IUPAC Name>
[3-(hydroxymethyl)piperidin-1-yl]-[6-(3-phenylmethoxyphenyl)naphthalen-2-yl]methanone

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5)CO

>  <Isomeric SMILES>
C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5)CO

>  <InChI Std. ID>
InChI=1S/C30H29NO3/c32-20-23-8-5-15-31(19-23)30(33)28-14-13-26-16-25(11-12-27(26)17-28)24-9-4-10-29(18-24)34-21-22-6-2-1-3-7-22/h1-4,6-7,9-14,16-18,23,32H,5,8,15,19-21H2

>  <InChI Key>
DDUQEIVCAPXRAR-UHFFFAOYSA-N

