
 CHEMBL132408

 60 65  0  0  0  0  0  0  0  0999 V2000
   -3.2247    2.8923   -1.3645 C   0  0  0  0  0
   -2.0871    3.8990   -1.3017 C   0  0  0  0  0
   -1.0638    3.6371   -2.3580 C   0  0  0  0  0
   -1.1758    4.0374   -3.6139 N   0  0  0  0  0
   -0.0585    3.5693   -4.2588 C   0  0  0  0  0
    0.7683    2.8946   -3.3729 C   0  0  0  0  0
    0.1174    2.9471   -2.1652 N   0  0  0  0  0
    0.6617    2.4269   -0.9208 C   0  0  0  0  0
    0.2129    1.0138   -0.6375 C   0  0  0  0  0
   -0.6555    0.7307    0.4315 C   0  0  0  0  0
   -1.0786   -0.5964    0.6735 C   0  0  0  0  0
   -0.6375   -1.6202   -0.1699 C   0  0  0  0  0
    0.2584   -1.3553   -1.2198 C   0  0  0  0  0
    0.6772   -0.0403   -1.4297 C   0  0  0  0  0
   -1.2628   -2.8088    0.2285 N   0  0  0  0  0
   -1.9615   -2.5400    1.3969 C   0  0  0  0  0
   -1.9052   -1.1905    1.6579 C   0  0  0  0  0
   -1.1839   -4.0664   -0.4237 C   0  0  0  0  0
   -0.3938   -4.1943   -1.3593 O   0  0  0  0  0
   -1.9302   -5.2832   -0.0304 C   0  0  0  0  0
   -1.1364   -6.4170    0.2304 C   0  0  0  0  0
   -1.7230   -7.6284    0.5894 C   0  0  0  0  0
   -3.1065   -7.7190    0.6926 C   0  0  0  0  0
   -3.9015   -6.6022    0.4201 C   0  0  0  0  0
   -3.3310   -5.3728    0.0353 C   0  0  0  0  0
   -4.2227   -4.2784   -0.3196 C   0  0  0  0  0
   -5.4535   -4.1095    0.2004 N   0  0  0  0  0
   -5.8323   -2.9954   -0.4454 N   0  0  0  0  0
   -4.9448   -2.4862   -1.3023 N   0  0  0  0  0
   -3.9073   -3.3076   -1.2367 N   0  0  0  0  0
    1.9516    2.3067   -3.6347 N   0  0  0  0  0
    2.3173    2.4018   -4.9346 C   0  0  0  0  0
    1.5695    3.0569   -5.9203 C   0  0  0  0  0
    0.3461    3.6721   -5.5994 C   0  0  0  0  0
   -0.4301    4.4167   -6.6397 C   0  0  0  0  0
    3.5825    1.6872   -5.3148 C   0  0  0  0  0
   -3.9592    3.1032   -0.5815 H   0  0  0  0  0
   -2.8638    1.8693   -1.2261 H   0  0  0  0  0
   -3.7375    2.9358   -2.3310 H   0  0  0  0  0
   -1.6458    3.8979   -0.3006 H   0  0  0  0  0
   -2.4953    4.9057   -1.4546 H   0  0  0  0  0
    0.3778    3.1092   -0.1130 H   0  0  0  0  0
    1.7566    2.4672   -0.9777 H   0  0  0  0  0
   -1.0146    1.5255    1.0777 H   0  0  0  0  0
    0.6224   -2.1428   -1.8732 H   0  0  0  0  0
    1.3720    0.1497   -2.2461 H   0  0  0  0  0
   -2.4677   -3.3265    1.9371 H   0  0  0  0  0
   -2.3937   -0.6873    2.4821 H   0  0  0  0  0
   -0.0522   -6.3577    0.1377 H   0  0  0  0  0
   -1.1016   -8.5005    0.7773 H   0  0  0  0  0
   -3.5718   -8.6633    0.9661 H   0  0  0  0  0
   -4.9846   -6.7077    0.4826 H   0  0  0  0  0
   -6.7408   -2.5630   -0.2963 H   0  0  0  0  0
    1.9337    3.0878   -6.9440 H   0  0  0  0  0
   -0.3809    3.9014   -7.6053 H   0  0  0  0  0
   -0.0214    5.4251   -6.7563 H   0  0  0  0  0
   -1.4858    4.4986   -6.3608 H   0  0  0  0  0
    4.0427    2.1324   -6.2039 H   0  0  0  0  0
    3.3637    0.6350   -5.5196 H   0  0  0  0  0
    4.3103    1.7428   -4.4984 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 34  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
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 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
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 23 24  1  0  0  0
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 26 30  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 53  1  0  0  0
 29 30  2  0  0  0
 31 32  2  0  0  0
 32 33  1  0  0  0
 32 36  1  0  0  0
 33 34  2  0  0  0
 33 54  1  0  0  0
 34 35  1  0  0  0
 35 55  1  0  0  0
 35 56  1  0  0  0
 35 57  1  0  0  0
 36 58  1  0  0  0
 36 59  1  0  0  0
 36 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL132408

>  <PubChem CID>
10367704

>  <Formula>
C27H24N8O

>  <Molecular Weight>
476.544000

>  <IUPAC Name>
[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)N(C=C4)C(=O)C5=CC=CC=C5C6=NNN=N6)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)N(C=C4)C(=O)C5=CC=CC=C5C6=NNN=N6)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C27H24N8O/c1-4-23-29-24-16(2)13-17(3)28-26(24)35(23)15-18-9-10-22-19(14-18)11-12-34(22)27(36)21-8-6-5-7-20(21)25-30-32-33-31-25/h5-14H,4,15H2,1-3H3,(H,30,31,32,33)

>  <InChI Key>
AFOQZUNUKPCIHO-UHFFFAOYSA-N

