
 CHEMBL1076586

 54 58  0  0  0  0  0  0  0  0999 V2000
    0.4882    1.6008   -1.3474 C   0  0  0  0  0
   -0.7725    0.9326   -0.7738 C   0  0  0  0  0
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    0.2716   -1.2825   -1.2333 C   0  0  0  0  0
    1.5172   -0.5620   -1.7723 C   0  0  0  0  0
    1.6624    0.7521   -1.1364 N   0  0  0  0  0
    2.3548    0.9305    0.0668 C   0  0  0  0  0
    2.0197    1.7622    0.9067 O   0  0  0  0  0
    3.5481    0.0973    0.3560 C   0  0  0  0  0
    3.7218   -0.3966    1.6505 C   0  0  0  0  0
    4.8613   -1.1440    1.9694 C   0  0  0  0  0
    5.8624   -1.3980    1.0138 C   0  0  0  0  0
    5.6729   -0.8709   -0.2788 C   0  0  0  0  0
    4.5342   -0.1243   -0.6061 C   0  0  0  0  0
    7.0789   -2.1686    1.3591 C   0  0  0  0  0
    7.6412   -3.0932    0.4601 C   0  0  0  0  0
    8.8001   -3.8088    0.7795 C   0  0  0  0  0
    9.4184   -3.6220    2.0118 C   0  0  0  0  0
    8.8797   -2.7195    2.9229 C   0  0  0  0  0
    7.7257   -1.9990    2.5973 C   0  0  0  0  0
   -2.1467   -1.1502   -1.1279 C   0  0  0  0  0
   -2.1980   -2.3765   -1.0492 O   0  0  0  0  0
   -3.4308   -0.4131   -1.0722 C   0  0  0  0  0
   -4.3400   -0.7573   -0.0606 C   0  0  0  0  0
   -5.5783   -0.1049   -0.0561 C   0  0  0  0  0
   -5.9291    0.8505   -1.0108 C   0  0  0  0  0
   -5.0074    1.1666   -2.0290 C   0  0  0  0  0
   -3.7662    0.5170   -2.0596 C   0  0  0  0  0
   -7.2448    1.2899   -0.6967 C   0  0  0  0  0
   -7.6647    0.5983    0.4168 C   0  0  0  0  0
   -6.6525   -0.2439    0.7939 N   0  0  0  0  0
    0.3787    1.7463   -2.4289 H   0  0  0  0  0
    0.6368    2.5871   -0.8951 H   0  0  0  0  0
   -1.6430    1.5472   -1.0080 H   0  0  0  0  0
   -0.7077    0.8668    0.3192 H   0  0  0  0  0
    0.4283   -1.5710   -0.1861 H   0  0  0  0  0
    0.1075   -2.2003   -1.8095 H   0  0  0  0  0
    2.3913   -1.1954   -1.6163 H   0  0  0  0  0
    1.4158   -0.3916   -2.8508 H   0  0  0  0  0
    2.9769   -0.1944    2.4176 H   0  0  0  0  0
    4.9577   -1.5278    2.9835 H   0  0  0  0  0
    6.4337   -1.0142   -1.0443 H   0  0  0  0  0
    4.4360    0.2948   -1.6038 H   0  0  0  0  0
    7.1736   -3.2762   -0.5049 H   0  0  0  0  0
    9.2164   -4.5133    0.0642 H   0  0  0  0  0
   10.3183   -4.1778    2.2613 H   0  0  0  0  0
    9.3586   -2.5684    3.8870 H   0  0  0  0  0
    7.3439   -1.2851    3.3245 H   0  0  0  0  0
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   -5.2648    1.8923   -2.7952 H   0  0  0  0  0
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   -8.5954    0.6281    0.9678 H   0  0  0  0  0
   -6.6855   -0.8828    1.5766 H   0  0  0  0  0
  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 21  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  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 10 40  1  0  0  0
 11 12  2  0  0  0
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 17 18  2  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1076586

>  <PubChem CID>
3676358

>  <Formula>
C26H23N3O2

>  <Molecular Weight>
409.489000

>  <IUPAC Name>
[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN5

>  <Isomeric SMILES>
C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN5

>  <InChI Std. ID>
InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2

>  <InChI Key>
APHXKHUFVKITGC-UHFFFAOYSA-N

