
 CHEMBL407493

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.5733    0.6553   -0.9451 C   0  0  0  0  0
   -2.0215    0.5490   -0.4364 C   0  0  0  0  0
   -2.3729   -0.8347   -0.0465 N   0  0  0  0  0
   -2.1318   -1.7305   -1.1978 C   0  0  0  0  0
   -0.6580   -1.7188   -1.6331 C   0  0  0  0  0
    0.1263   -0.7049   -0.7799 C   0  0  0  0  0
    0.0187   -1.0889    0.7120 C   0  0  0  0  0
   -1.4826   -1.2608    1.0681 C   0  0  0  0  0
    0.8074   -2.2700    1.0173 N   0  0  0  0  0
    1.2402   -2.5599    2.2916 C   0  0  0  0  0
    1.0625   -1.8124    3.2472 O   0  0  0  0  0
    1.9601   -3.8450    2.4735 C   0  0  0  0  0
    2.5264   -4.1480    3.7215 C   0  0  0  0  0
    3.2190   -5.3452    3.9155 C   0  0  0  0  0
    3.4019   -6.2932    2.8803 C   0  0  0  0  0
    2.7929   -5.9687    1.6608 C   0  0  0  0  0
    2.0942   -4.7833    1.4314 C   0  0  0  0  0
    1.6218   -4.7453    0.1298 N   0  0  0  0  0
    1.9999   -5.8781   -0.4133 C   0  0  0  0  0
    2.7008   -6.6479    0.4689 N   0  0  0  0  0
    4.0533   -7.5107    3.0910 N   0  0  0  0  0
    3.9047   -5.6368    5.4816 Cl  0  0  0  0  0
   -0.0359    1.4292   -0.3845 H   0  0  0  0  0
   -0.5662    0.9549   -1.9999 H   0  0  0  0  0
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   -2.7727   -1.4334   -2.0377 H   0  0  0  0  0
   -2.4383   -2.7529   -0.9435 H   0  0  0  0  0
   -0.2305   -2.7228   -1.5369 H   0  0  0  0  0
   -0.5887   -1.4453   -2.6930 H   0  0  0  0  0
    1.1706   -0.6500   -1.1059 H   0  0  0  0  0
    0.4251   -0.2667    1.3162 H   0  0  0  0  0
   -1.7138   -2.2994    1.3385 H   0  0  0  0  0
   -1.7168   -0.6669    1.9608 H   0  0  0  0  0
    0.8955   -3.0054    0.3160 H   0  0  0  0  0
    2.4253   -3.4398    4.5420 H   0  0  0  0  0
    1.7958   -6.1966   -1.4278 H   0  0  0  0  0
    3.0785   -7.5652    0.2827 H   0  0  0  0  0
    4.8413   -7.4375    3.7328 H   0  0  0  0  0
    4.2476   -8.0846    2.2829 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 12  1  0  0  0
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 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 22  1  0  0  0
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 15 21  1  0  0  0
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 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL407493

>  <PubChem CID>
10615623

>  <Formula>
C15H18ClN5O

>  <Molecular Weight>
319.793000

>  <IUPAC Name>
7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1H-benzimidazole-4-carboxamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)N)Cl

>  <Isomeric SMILES>
C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)N)Cl

>  <InChI Std. ID>
InChI=1S/C15H18ClN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)

>  <InChI Key>
DQYCUWJWSIVSKC-UHFFFAOYSA-N

