
 CHEMBL2325931

 52 56  0  0  0  0  0  0  0  0999 V2000
    0.8653   -3.1766   -2.7199 C   0  0  0  0  0
    2.3247   -3.2187   -2.7417 N   0  0  0  0  0
    2.8820   -2.6457   -3.9716 C   0  0  0  0  0
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    2.9189   -2.6249   -1.5396 C   0  0  0  0  0
    4.9591   -0.3499   -2.8108 C   0  0  0  0  0
    5.8645   -1.3898   -2.7913 C   0  0  0  0  0
    7.1579   -0.9122   -2.8688 N   0  0  0  0  0
    7.0984    0.4822   -2.8950 C   0  0  0  0  0
    5.7446    0.8480   -2.8606 C   0  0  0  0  0
    5.4109    2.2272   -2.8583 C   0  0  0  0  0
    6.3955    3.2347   -2.8839 C   0  0  0  0  0
    7.7317    2.8211   -2.8995 C   0  0  0  0  0
    8.1005    1.4695   -2.8800 C   0  0  0  0  0
    6.0359    4.6731   -2.8701 C   0  0  0  0  0
    4.9027    5.1569   -3.5374 C   0  0  0  0  0
    4.6081    6.5121   -3.4946 C   0  0  0  0  0
    5.3594    7.4255   -2.8454 N   0  0  0  0  0
    6.4494    6.9562   -2.2077 C   0  0  0  0  0
    6.8166    5.6190   -2.1875 C   0  0  0  0  0
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    9.4062   -3.8080   -2.3432 C   0  0  0  0  0
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    9.4764   -1.3667   -3.5645 C   0  0  0  0  0
    0.4824   -3.6931   -1.8325 H   0  0  0  0  0
    0.4555   -3.7096   -3.5853 H   0  0  0  0  0
    0.4638   -2.1587   -2.7232 H   0  0  0  0  0
    2.3551   -3.0501   -4.8455 H   0  0  0  0  0
    3.9117   -3.0010   -4.0847 H   0  0  0  0  0
    3.3769   -0.7772   -4.9354 H   0  0  0  0  0
    1.8125   -0.7904   -4.1411 H   0  0  0  0  0
    3.0733    0.5875   -2.7856 H   0  0  0  0  0
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    5.6838   -2.4544   -2.7862 H   0  0  0  0  0
    4.3608    2.5015   -2.8053 H   0  0  0  0  0
    8.5336    3.5571   -2.9236 H   0  0  0  0  0
    9.1548    1.2209   -2.8311 H   0  0  0  0  0
    4.2501    4.4971   -4.1010 H   0  0  0  0  0
    3.7341    6.9109   -4.0002 H   0  0  0  0  0
    7.0430    7.7061   -1.6920 H   0  0  0  0  0
    7.7020    5.3291   -1.6304 H   0  0  0  0  0
    7.4042   -3.3802   -1.7566 H   0  0  0  0  0
    9.4251   -4.7853   -1.8691 H   0  0  0  0  0
   11.4841   -1.9786   -4.0622 H   0  0  0  0  0
    9.5554   -0.4473   -4.1299 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
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  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  8  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2325931

>  <PubChem CID>
71508686

>  <Formula>
C24H24N4

>  <Molecular Weight>
368.484000

>  <IUPAC Name>
3-(1-methylpiperidin-4-yl)-1,5-dipyridin-4-ylindole

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)C4=CC=NC=C4)C5=CC=NC=C5

>  <Isomeric SMILES>
CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)C4=CC=NC=C4)C5=CC=NC=C5

>  <InChI Std. ID>
InChI=1S/C24H24N4/c1-27-14-8-19(9-15-27)23-17-28(21-6-12-26-13-7-21)24-3-2-20(16-22(23)24)18-4-10-25-11-5-18/h2-7,10-13,16-17,19H,8-9,14-15H2,1H3

>  <InChI Key>
IRZPPSVFNZCDTA-UHFFFAOYSA-N

