
 CHEMBL309084

 50 54  0  0  0  0  0  0  0  0999 V2000
    4.5105    3.3707    2.2213 C   0  0  0  0  0
    4.9563    2.1739    1.5960 O   0  0  0  0  0
    4.1417    1.7014    0.6555 C   0  0  0  0  0
    2.9668    2.1896    0.3544 N   0  0  0  0  0
    2.5160    1.4114   -0.6746 C   0  0  0  0  0
    1.2921    1.5380   -1.3531 C   0  0  0  0  0
    0.9938    0.6690   -2.3976 C   0  0  0  0  0
    1.9114   -0.3072   -2.7677 C   0  0  0  0  0
    3.1502   -0.4619   -2.1037 C   0  0  0  0  0
    3.4361    0.4084   -1.0253 C   0  0  0  0  0
    4.4646    0.6056   -0.1169 N   0  0  0  0  0
    5.6381   -0.2057    0.1662 C   0  0  0  0  0
    6.9492    0.4907   -0.1128 C   0  0  0  0  0
    7.2506    1.0374   -1.3650 C   0  0  0  0  0
    8.4947    1.6413   -1.5996 C   0  0  0  0  0
    9.4910    1.6767   -0.6100 C   0  0  0  0  0
    9.1745    1.1194    0.6411 C   0  0  0  0  0
    7.9260    0.5428    0.8893 C   0  0  0  0  0
   10.8212    2.2956   -0.8355 C   0  0  0  0  0
   11.2806    3.2374    0.1181 C   0  0  0  0  0
   12.5233    3.8649    0.0086 C   0  0  0  0  0
   13.3442    3.5817   -1.0716 C   0  0  0  0  0
   12.9168    2.6728   -2.0375 C   0  0  0  0  0
   11.6685    2.0169   -1.9359 C   0  0  0  0  0
   11.3392    1.0615   -2.9886 C   0  0  0  0  0
   11.6354    1.2538   -4.2894 N   0  0  0  0  0
   11.1524    0.1193   -4.8127 N   0  0  0  0  0
   10.6090   -0.7429   -3.9492 N   0  0  0  0  0
   10.7341   -0.1536   -2.7677 N   0  0  0  0  0
    4.0338   -1.5462   -2.5720 C   0  0  0  0  0
    4.6674   -2.3322   -1.8997 O   0  0  0  0  0
    4.0436   -1.6160   -3.9174 O   0  0  0  0  0
    3.7133    3.1475    2.9373 H   0  0  0  0  0
    4.1747    4.1176    1.4927 H   0  0  0  0  0
    5.3553    3.7992    2.7689 H   0  0  0  0  0
    0.5925    2.3126   -1.0549 H   0  0  0  0  0
    0.0466    0.7578   -2.9235 H   0  0  0  0  0
    1.6542   -0.9731   -3.5910 H   0  0  0  0  0
    5.6073   -1.1366   -0.3821 H   0  0  0  0  0
    5.5623   -0.4798    1.2270 H   0  0  0  0  0
    6.5257    0.9980   -2.1750 H   0  0  0  0  0
    8.6811    2.0726   -2.5810 H   0  0  0  0  0
    9.9099    1.1213    1.4437 H   0  0  0  0  0
    7.7284    0.1287    1.8761 H   0  0  0  0  0
   10.6520    3.4977    0.9696 H   0  0  0  0  0
   12.8426    4.5753    0.7669 H   0  0  0  0  0
   14.3132    4.0641   -1.1668 H   0  0  0  0  0
   13.5747    2.4617   -2.8804 H   0  0  0  0  0
   11.1976   -0.0787   -5.8084 H   0  0  0  0  0
    4.6373   -2.3708   -4.1151 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  3 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 29  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
 28 29  2  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL309084

>  <PubChem CID>
15654755

>  <Formula>
C23H18N6O3

>  <Molecular Weight>
426.436000

>  <IUPAC Name>
2-methoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

>  <Isomeric SMILES>
COC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H18N6O3/c1-32-23-24-19-8-4-7-18(22(30)31)20(19)29(23)13-14-9-11-15(12-10-14)16-5-2-3-6-17(16)21-25-27-28-26-21/h2-12H,13H2,1H3,(H,30,31)(H,25,26,27,28)

>  <InChI Key>
GGMUVWGZVYLWFZ-UHFFFAOYSA-N

