
 CHEMBL302811

 60 64  0  0  0  0  0  0  0  0999 V2000
    3.8488    3.3608   -5.0573 C   0  0  0  0  0
    3.6614    3.6848   -3.5836 C   0  0  0  0  0
    4.6145    2.8731   -2.7074 C   0  0  0  0  0
    4.4149    3.1906   -1.2247 C   0  0  0  0  0
    5.3887    2.4756   -0.4135 N   0  0  0  0  0
    6.6276    2.9924   -0.2613 C   0  0  0  0  0
    7.0188    4.1689   -0.6809 N   0  0  0  0  0
    8.3153    4.2987   -0.2837 C   0  0  0  0  0
    9.1653    5.3985   -0.4980 C   0  0  0  0  0
   10.4631    5.3698    0.0049 C   0  0  0  0  0
   10.9014    4.2618    0.7202 C   0  0  0  0  0
   10.0681    3.1406    0.9399 C   0  0  0  0  0
    8.7623    3.1678    0.4053 C   0  0  0  0  0
    7.6629    2.3180    0.3700 N   0  0  0  0  0
    7.6083    0.9100    0.7474 C   0  0  0  0  0
    7.3233    0.6627    2.2104 C   0  0  0  0  0
    6.2851    1.3103    2.8932 C   0  0  0  0  0
    6.0549    1.0554    4.2498 C   0  0  0  0  0
    6.8510    0.1456    4.9615 C   0  0  0  0  0
    7.8393   -0.5561    4.2594 C   0  0  0  0  0
    8.0687   -0.3026    2.9041 C   0  0  0  0  0
    6.6735   -0.0369    6.4125 C   0  0  0  0  0
    5.4937   -0.6665    6.8667 C   0  0  0  0  0
    5.2534   -0.8776    8.2257 C   0  0  0  0  0
    6.1893   -0.4656    9.1645 C   0  0  0  0  0
    7.3651    0.1544    8.7421 C   0  0  0  0  0
    7.6272    0.3822    7.3741 C   0  0  0  0  0
    8.8828    1.0500    7.0219 C   0  0  0  0  0
    9.9817    1.0371    7.8038 N   0  0  0  0  0
   10.8160    1.7700    7.0567 N   0  0  0  0  0
   10.3390    2.2071    5.8945 N   0  0  0  0  0
    9.0843    1.7780    5.8701 N   0  0  0  0  0
   10.6240    2.0225    1.7142 C   0  0  0  0  0
   10.5642    0.8418    1.4486 O   0  0  0  0  0
   11.2389    2.4823    2.8175 O   0  0  0  0  0
    3.1683    3.9630   -5.6674 H   0  0  0  0  0
    3.6397    2.3049   -5.2559 H   0  0  0  0  0
    4.8730    3.5749   -5.3795 H   0  0  0  0  0
    2.6235    3.4802   -3.2975 H   0  0  0  0  0
    3.8367    4.7558   -3.4278 H   0  0  0  0  0
    5.6486    3.0871   -3.0047 H   0  0  0  0  0
    4.4563    1.8005   -2.8758 H   0  0  0  0  0
    3.4113    2.8754   -0.9159 H   0  0  0  0  0
    4.4674    4.2717   -1.0443 H   0  0  0  0  0
    5.1275    1.5393   -0.1357 H   0  0  0  0  0
    8.7970    6.2591   -1.0472 H   0  0  0  0  0
   11.1247    6.2165   -0.1540 H   0  0  0  0  0
   11.9160    4.2636    1.1179 H   0  0  0  0  0
    8.5439    0.4531    0.4181 H   0  0  0  0  0
    6.8361    0.4129    0.1508 H   0  0  0  0  0
    5.6542    2.0402    2.3909 H   0  0  0  0  0
    5.2647    1.6028    4.7611 H   0  0  0  0  0
    8.4661   -1.2817    4.7735 H   0  0  0  0  0
    8.8654   -0.8482    2.4005 H   0  0  0  0  0
    4.7499   -1.0067    6.1467 H   0  0  0  0  0
    4.3368   -1.3653    8.5478 H   0  0  0  0  0
    6.0094   -0.6237   10.2247 H   0  0  0  0  0
    8.0845    0.4725    9.4959 H   0  0  0  0  0
   11.7655    1.9784    7.3519 H   0  0  0  0  0
   11.3961    1.6910    3.3749 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  1  0  0  0
  5 45  1  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
 10 11  2  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 11 48  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 15 50  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 18 19  2  0  0  0
 18 52  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 53  1  0  0  0
 21 54  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 24 25  2  0  0  0
 24 56  1  0  0  0
 25 26  1  0  0  0
 25 57  1  0  0  0
 26 27  2  0  0  0
 26 58  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 32  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 59  1  0  0  0
 31 32  2  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>
CHEMBL302811

>  <PubChem CID>
15654760

>  <Formula>
C26H25N7O2

>  <Molecular Weight>
467.533000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCNC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

>  <Isomeric SMILES>
CCCCNC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H25N7O2/c1-2-3-15-27-26-28-22-10-6-9-21(25(34)35)23(22)33(26)16-17-11-13-18(14-12-17)19-7-4-5-8-20(19)24-29-31-32-30-24/h4-14H,2-3,15-16H2,1H3,(H,27,28)(H,34,35)(H,29,30,31,32)

>  <InChI Key>
GRIMYPQEIIHKDQ-UHFFFAOYSA-N

