
 CHEMBL288431

 67 69  0  0  0  0  0  0  0  0999 V2000
    8.3693  -11.9614    5.1221 C   0  0  0  0  0
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    0.3602    4.0021    0.9484 C   0  0  0  0  0
    0.3223    4.1442   -0.2557 O   0  0  0  0  0
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    1.7176    1.9786    0.8897 O   0  0  0  0  0
    9.3597  -11.5670    4.8642 H   0  0  0  0  0
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    8.9795   -9.9525    7.0112 H   0  0  0  0  0
    6.4298   -9.1521    4.4960 H   0  0  0  0  0
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    6.3364  -11.6496    4.4759 H   0  0  0  0  0
    7.5451  -11.0541    3.3499 H   0  0  0  0  0
    5.5623  -10.2099    7.9676 H   0  0  0  0  0
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    2.7327   -6.5510    7.0993 H   0  0  0  0  0
    2.1338   -9.3615    3.8839 H   0  0  0  0  0
    4.0324  -10.6904    4.6969 H   0  0  0  0  0
    1.0310   -7.1030    3.8640 H   0  0  0  0  0
    1.2211   -6.0178    5.2665 H   0  0  0  0  0
   -1.9494   -8.2209    7.1077 H   0  0  0  0  0
   -4.0657   -6.9897    7.3866 H   0  0  0  0  0
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   -0.0548    4.4959    2.7635 H   0  0  0  0  0
    2.1335    1.3207    1.4822 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
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  4  5  1  0  0  0
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 35 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL288431

>  <PubChem CID>
44285325

>  <Formula>
C28H32N2O5

>  <Molecular Weight>
476.573000

>  <IUPAC Name>
oxalic acid;N-[[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]methyl]aniline

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)CNC4=CC=CC=C4.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)CNC4=CC=CC=C4.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C26H30N2O.C2H2O4/c1-3-7-25(8-4-1)27-19-22-13-15-26(16-14-22)29-21-24-11-9-23(10-12-24)20-28-17-5-2-6-18-28;3-1(4)2(5)6/h1,3-4,7-16,27H,2,5-6,17-21H2;(H,3,4)(H,5,6)

>  <InChI Key>
ABNOHDQRTQDOLO-UHFFFAOYSA-N

