
 CHEMBL129447

 60 64  0  0  0  0  0  0  0  0999 V2000
    2.7001    0.6305   -2.5380 C   0  0  0  0  0
    2.1496    2.0373   -2.3623 C   0  0  0  0  0
    2.0578    2.4781   -0.8956 C   0  0  0  0  0
    3.4028    2.6187   -0.1703 C   0  0  0  0  0
    4.2343    3.7164   -0.7514 C   0  0  0  0  0
    5.2311    3.5487   -1.5951 N   0  0  0  0  0
    5.6147    4.8086   -1.9830 C   0  0  0  0  0
    4.7955    5.7742   -1.4006 C   0  0  0  0  0
    4.0903    5.0584   -0.4503 N   0  0  0  0  0
    3.5591    5.5674    0.8109 C   0  0  0  0  0
    4.5348    5.4734    1.9740 C   0  0  0  0  0
    4.0448    5.6424    3.2751 C   0  0  0  0  0
    4.9142    5.6725    4.3760 C   0  0  0  0  0
    6.3054    5.5196    4.2285 C   0  0  0  0  0
    6.7801    5.3091    2.9281 C   0  0  0  0  0
    5.9194    5.3149    1.8220 C   0  0  0  0  0
    7.2126    5.5522    5.4075 C   0  0  0  0  0
    6.8385    4.8093    6.5537 C   0  0  0  0  0
    7.6251    4.7679    7.7079 C   0  0  0  0  0
    8.8267    5.4572    7.7496 C   0  0  0  0  0
    9.2354    6.1872    6.6365 C   0  0  0  0  0
    8.4446    6.2548    5.4669 C   0  0  0  0  0
    8.9637    7.0769    4.3789 C   0  0  0  0  0
   10.2563    7.0797    3.9966 N   0  0  0  0  0
   10.2088    7.9836    3.0084 N   0  0  0  0  0
    9.0155    8.5372    2.7756 N   0  0  0  0  0
    8.2049    7.9686    3.6584 N   0  0  0  0  0
    4.8958    7.1148   -1.7718 C   0  0  0  0  0
    5.8932    7.4773   -2.6296 N   0  0  0  0  0
    6.7406    6.5391   -3.1035 C   0  0  0  0  0
    6.6614    5.1781   -2.8371 C   0  0  0  0  0
    7.6455    4.2193   -3.4249 C   0  0  0  0  0
    3.8870    8.1447   -1.4103 C   0  0  0  0  0
    2.7393    7.9353   -1.0506 O   0  0  0  0  0
    4.3521    9.4019   -1.5457 O   0  0  0  0  0
    2.6555    0.3385   -3.5924 H   0  0  0  0  0
    2.1151   -0.0940   -1.9627 H   0  0  0  0  0
    3.7445    0.5640   -2.2204 H   0  0  0  0  0
    1.1422    2.0693   -2.7952 H   0  0  0  0  0
    2.7563    2.7426   -2.9410 H   0  0  0  0  0
    1.4382    1.7564   -0.3491 H   0  0  0  0  0
    1.5221    3.4357   -0.8594 H   0  0  0  0  0
    3.9606    1.6771   -0.2157 H   0  0  0  0  0
    3.2187    2.8036    0.8935 H   0  0  0  0  0
    2.6393    5.0128    1.0259 H   0  0  0  0  0
    3.2914    6.6143    0.6943 H   0  0  0  0  0
    2.9787    5.7771    3.4491 H   0  0  0  0  0
    4.4850    5.8356    5.3632 H   0  0  0  0  0
    7.8417    5.1560    2.7434 H   0  0  0  0  0
    6.3779    5.1974    0.8436 H   0  0  0  0  0
    5.9153    4.2311    6.5500 H   0  0  0  0  0
    7.2978    4.1895    8.5681 H   0  0  0  0  0
    9.4477    5.4280    8.6409 H   0  0  0  0  0
   10.1834    6.7223    6.6830 H   0  0  0  0  0
   11.0306    8.2390    2.4672 H   0  0  0  0  0
    7.5211    6.9299   -3.7533 H   0  0  0  0  0
    8.6656    4.5215   -3.1645 H   0  0  0  0  0
    7.5478    4.1934   -4.5140 H   0  0  0  0  0
    7.4928    3.2054   -3.0416 H   0  0  0  0  0
    3.5949    9.9787   -1.3280 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  7 31  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 49  1  0  0  0
 16 50  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 19 20  2  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 21 22  2  0  0  0
 21 54  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 55  1  0  0  0
 26 27  2  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 56  1  0  0  0
 31 32  1  0  0  0
 32 57  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL129447

>  <PubChem CID>
15224461

>  <Formula>
C26H25N7O2

>  <Molecular Weight>
467.533000

>  <IUPAC Name>
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=NC=C2C)C(=O)O

>  <Isomeric SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=NC=C2C)C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H25N7O2/c1-3-4-9-21-28-22-16(2)14-27-23(26(34)35)24(22)33(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)25-29-31-32-30-25/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,34,35)(H,29,30,31,32)

>  <InChI Key>
GCEPCIJDUCGARX-UHFFFAOYSA-N

