
 CHEMBL423717

 57 60  0  0  0  0  0  0  0  0999 V2000
    1.0526    2.1962    0.0917 C   0  0  0  0  0
   -0.3723    1.7411   -0.2628 C   0  0  0  0  0
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    2.5148   -0.7886    2.0005 C   0  0  0  0  0
    3.8568   -0.5514    2.2898 C   0  0  0  0  0
    4.7469   -1.5208    2.6081 N   0  0  0  0  0
    4.2842   -2.7877    2.6395 C   0  0  0  0  0
    2.9719   -3.1333    2.3683 C   0  0  0  0  0
    2.0759   -2.1189    2.0450 C   0  0  0  0  0
    1.4394    1.3031    2.8652 C   0  0  0  0  0
    2.3068    2.0896    3.2430 O   0  0  0  0  0
    0.2345    1.2736    3.5241 N   0  0  0  0  0
   -1.7113   -0.0968   -1.3688 C   0  0  0  0  0
   -1.7309   -1.1918   -1.9480 O   0  0  0  0  0
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   -4.8008   -2.0281    1.1935 C   0  0  0  0  0
   -4.2592   -1.3661    0.0894 C   0  0  0  0  0
    1.4659    2.7442   -0.7655 H   0  0  0  0  0
    1.0120    2.9412    0.8939 H   0  0  0  0  0
   -0.8681    2.5351   -0.8319 H   0  0  0  0  0
   -0.9369    1.5967    0.6643 H   0  0  0  0  0
    0.5328   -1.2873   -0.7329 H   0  0  0  0  0
    0.7663   -0.5617   -2.3213 H   0  0  0  0  0
    2.7821   -0.5594   -0.6612 H   0  0  0  0  0
    2.4630    0.8601   -1.5966 H   0  0  0  0  0
    0.5715   -0.0967    1.4864 H   0  0  0  0  0
    4.2684    0.4563    2.2683 H   0  0  0  0  0
    5.0218   -3.5424    2.8955 H   0  0  0  0  0
    2.6558   -4.1702    2.4052 H   0  0  0  0  0
    1.0429   -2.3747    1.8226 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL423717

>  <PubChem CID>
9979183

>  <Formula>
C25H26N4O2

>  <Molecular Weight>
414.509000

>  <IUPAC Name>
2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C(C2=CN=CC=C2)C(=O)N)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1C(C2=CN=CC=C2)C(=O)N)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H26N4O2/c26-24(30)23(21-12-7-13-27-18-21)28-14-16-29(17-15-28)25(31)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,22-23H,14-17H2,(H2,26,30)

>  <InChI Key>
GLTUBCTYVRAYJJ-UHFFFAOYSA-N

