
 CHEMBL1801742

 67 72  0  0  0  0  0  0  0  0999 V2000
    3.1859   -0.9775    0.6004 C   0  0  0  0  0
    2.7291   -0.0896   -0.5485 C   0  0  0  0  0
    3.0303    1.3543   -0.3029 C   0  0  0  0  0
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    3.4511    5.7504    0.0246 C   0  0  0  0  0
    4.8150    5.4437   -0.0633 C   0  0  0  0  0
    5.2390    4.1081   -0.1660 C   0  0  0  0  0
    6.6993    3.7410   -0.1905 C   0  0  0  0  0
    7.3184    3.5878    1.2151 C   0  0  0  0  0
    6.6738    2.4610    2.0304 C   0  0  0  0  0
    8.8209    3.3240    1.0911 C   0  0  0  0  0
    3.0169    7.1879    0.0574 C   0  0  0  0  0
    3.0030   -2.0302    0.3596 H   0  0  0  0  0
    2.6562   -0.7503    1.5258 H   0  0  0  0  0
    4.2562   -0.8575    0.7949 H   0  0  0  0  0
    1.6914   -0.2914   -0.7910 H   0  0  0  0  0
    3.2883   -0.3918   -1.4454 H   0  0  0  0  0
    0.3163    3.3822   -0.1405 H   0  0  0  0  0
    1.3522    2.9137    2.3893 H   0  0  0  0  0
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   -0.5836    1.7009   -2.1633 H   0  0  0  0  0
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   -3.0501   -2.5108    1.1836 H   0  0  0  0  0
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   -3.4478   -6.1609   -1.0058 H   0  0  0  0  0
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    0.1493   -2.6049   -5.7961 H   0  0  0  0  0
    5.5531    6.2416   -0.0524 H   0  0  0  0  0
    7.2432    4.5105   -0.7528 H   0  0  0  0  0
    6.8281    2.8102   -0.7576 H   0  0  0  0  0
    7.1847    4.5255    1.7703 H   0  0  0  0  0
    6.7020    1.5108    1.4877 H   0  0  0  0  0
    5.6313    2.6890    2.2712 H   0  0  0  0  0
    7.1975    2.3212    2.9819 H   0  0  0  0  0
    9.0163    2.3909    0.5496 H   0  0  0  0  0
    9.2859    3.2438    2.0791 H   0  0  0  0  0
    9.3179    4.1391    0.5539 H   0  0  0  0  0
    3.8176    7.8429    0.4137 H   0  0  0  0  0
    2.1604    7.3102    0.7288 H   0  0  0  0  0
    2.7237    7.5059   -0.9494 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 31  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1801742

>  <PubChem CID>
53309405

>  <Formula>
C29H31N7

>  <Molecular Weight>
477.616000

>  <IUPAC Name>
2-ethyl-5-methyl-7-(2-methylpropyl)-3-[(1S)-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NC2=C(N1C3CCC4=C3C=CC(=C4)C5=CC=CC=C5C6=NNN=N6)N=C(C=C2CC(C)C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1[C@H]3CCC4=C3C=CC(=C4)C5=CC=CC=C5C6=NNN=N6)N=C(C=C2CC(C)C)C

>  <InChI Std. ID>
InChI=1S/C29H31N7/c1-5-26-31-27-21(14-17(2)3)15-18(4)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1

>  <InChI Key>
AEXHTGISYTXJPO-VWLOTQADSA-N

