
 CHEMBL389128

 64 67  0  0  0  0  0  0  0  0999 V2000
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    7.9058    5.6566   -3.7922 N   0  0  0  0  0
    7.6917    6.5845   -2.6760 C   0  0  0  0  0
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    0.9224    3.1586   -2.1846 H   0  0  0  0  0
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   -1.3887    6.1349   -2.2848 H   0  0  0  0  0
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    3.1029    5.4315    1.7573 H   0  0  0  0  0
    5.2506    5.5196    2.9188 H   0  0  0  0  0
    7.3618    5.1816    1.7005 H   0  0  0  0  0
    5.1290    4.5853   -1.9318 H   0  0  0  0  0
    8.4508    4.3157   -0.1933 H   0  0  0  0  0
    7.2503    2.8329   -1.9129 H   0  0  0  0  0
    8.8733    3.4163   -2.2284 H   0  0  0  0  0
    7.6629    3.5975   -4.2661 H   0  0  0  0  0
    6.3061    4.3606   -3.5418 H   0  0  0  0  0
    8.1022    7.5713   -2.9237 H   0  0  0  0  0
    6.6136    6.7481   -2.5580 H   0  0  0  0  0
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   12.1454   -1.7442   -9.4528 H   0  0  0  0  0
   10.3265   -1.3185   -7.8178 H   0  0  0  0  0
    9.2357    0.9034   -7.7276 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
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  3 37  1  0  0  0
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  3 39  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
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 31 32  2  0  0  0
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 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL389128

>  <PubChem CID>
16756641

>  <Formula>
C28H32N2O2

>  <Molecular Weight>
428.576000

>  <IUPAC Name>
2-methyl-N-[3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H32N2O2/c1-21(2)28(31)29-25-8-6-7-24(19-25)23-15-17-30(18-16-23)20-22-11-13-27(14-12-22)32-26-9-4-3-5-10-26/h3-14,19,21,23H,15-18,20H2,1-2H3,(H,29,31)

>  <InChI Key>
BNQLJQAWDJNCDL-UHFFFAOYSA-N

