
 CHEMBL425765

 63 66  0  0  0  0  0  0  0  0999 V2000
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   -2.2388    1.6035   -0.9708 C   0  0  0  0  0
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   -5.0684   -0.1179   -0.2537 H   0  0  0  0  0
   -3.1280   -0.4746   -2.5810 H   0  0  0  0  0
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   -2.1536   -1.3900   -0.4286 H   0  0  0  0  0
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   -1.3755   -9.0435    4.2451 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
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  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
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  7 40  1  0  0  0
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  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL425765

>  <PubChem CID>
44407899

>  <Formula>
C23H33N5O2

>  <Molecular Weight>
411.550000

>  <IUPAC Name>
[4-[3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]propoxy]phenyl]-piperazin-1-ylmethanone

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1CC2=CN=CN2)CCCOC3=CC=C(C=C3)C(=O)N4CCNCC4

>  <Isomeric SMILES>
C1CN(CCC1CC2=CN=CN2)CCCOC3=CC=C(C=C3)C(=O)N4CCNCC4

>  <InChI Std. ID>
InChI=1S/C23H33N5O2/c29-23(28-13-8-24-9-14-28)20-2-4-22(5-3-20)30-15-1-10-27-11-6-19(7-12-27)16-21-17-25-18-26-21/h2-5,17-19,24H,1,6-16H2,(H,25,26)

>  <InChI Key>
AQVXXAKWEQRORX-UHFFFAOYSA-N

