
 CHEMBL3361423

 60 62  0  0  0  0  0  0  0  0999 V2000
    0.7811    1.1624   -0.4791 C   0  0  0  0  0
   -0.5915    1.1171    0.2067 C   0  0  0  0  0
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    0.6575   -1.3024   -0.7783 C   0  0  0  0  0
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    2.5642   -0.9777   -3.5515 C   0  0  0  0  0
    2.0114   -0.3120    1.1686 C   0  0  0  0  0
    2.8365   -1.4714    1.4627 N   0  0  0  0  0
    2.3178   -2.6721    1.8987 C   0  0  0  0  0
    1.1169   -2.9184    1.9935 O   0  0  0  0  0
    3.3657   -3.7059    2.2866 C   0  0  0  0  0
    3.8535   -3.4733    3.6495 N   0  0  0  0  0
    3.0422   -3.6387    4.6257 C   0  0  0  0  0
    1.7224   -3.9211    4.6379 N   0  0  0  0  0
    3.4840   -3.5020    5.8938 N   0  0  0  0  0
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    0.6026    1.3791   -1.5389 H   0  0  0  0  0
    1.3576    2.0071   -0.0817 H   0  0  0  0  0
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   -0.4680    1.0898    1.2962 H   0  0  0  0  0
   -0.5885   -1.5000    1.0000 H   0  0  0  0  0
   -1.2751   -2.1142   -0.4995 H   0  0  0  0  0
    1.1406   -2.2758   -0.6404 H   0  0  0  0  0
    0.4514   -1.2202   -1.8521 H   0  0  0  0  0
    3.4526   -1.0513   -1.0571 H   0  0  0  0  0
    3.5582    0.6680   -0.7990 H   0  0  0  0  0
    2.9401    2.2613   -2.5739 H   0  0  0  0  0
    2.6512    2.6132   -4.9984 H   0  0  0  0  0
    2.2920    0.6790   -6.5088 H   0  0  0  0  0
    2.2409   -1.6213   -5.5824 H   0  0  0  0  0
    2.5314   -1.9930   -3.1623 H   0  0  0  0  0
    1.1468   -0.3388    1.8379 H   0  0  0  0  0
    2.6071    0.5596    1.4681 H   0  0  0  0  0
    3.8273   -1.3263    1.6232 H   0  0  0  0  0
    4.2083   -3.6420    1.5892 H   0  0  0  0  0
    2.9454   -4.7125    2.1762 H   0  0  0  0  0
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    1.4541   -4.6176    5.3218 H   0  0  0  0  0
    4.4161   -3.1019    5.9064 H   0  0  0  0  0
    2.8435   -2.9694    6.4698 H   0  0  0  0  0
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   -6.1004   -3.7749   -1.4561 H   0  0  0  0  0
   -4.7735   -4.2153    0.5939 H   0  0  0  0  0
   -3.2382   -2.4928    1.4716 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 15 16  1  0  0  0
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 24 29  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 26 27  2  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
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 28 29  2  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3361423

>  <PubChem CID>
118724984

>  <Formula>
C23H31N5O

>  <Molecular Weight>
393.535000

>  <IUPAC Name>
2-(diaminomethylideneamino)-N-[(1,4-dibenzylpiperidin-4-yl)methyl]acetamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(CC2=CC=CC=C2)CNC(=O)CN=C(N)N)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1(CC2=CC=CC=C2)CNC(=O)CN=C(N)N)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)

>  <InChI Key>
JTMFELXZUJXDDO-UHFFFAOYSA-N

