
 CHEMBL128920

 53 57  0  0  0  0  0  0  0  0999 V2000
    4.4853    1.9856   -4.4266 C   0  0  0  0  0
    5.4877    2.1269   -3.2900 C   0  0  0  0  0
    4.8942    1.6336   -1.9682 C   0  0  0  0  0
    5.8277    1.7419   -0.8034 C   0  0  0  0  0
    6.9359    0.9939   -0.6023 C   0  0  0  0  0
    7.4510    1.3472    0.6279 N   0  0  0  0  0
    6.6450    2.3010    1.2241 C   0  0  0  0  0
    7.1666    2.5503    2.4683 C   0  0  0  0  0
    8.3366    1.7345    2.4843 C   0  0  0  0  0
    8.5023    0.9925    1.3817 N   0  0  0  0  0
    6.7073    3.3614    3.5608 C   0  0  0  0  0
    7.3859    3.6820    4.5254 O   0  0  0  0  0
    5.4076    3.7221    3.5161 O   0  0  0  0  0
    5.6355    2.5889    0.3319 N   0  0  0  0  0
    4.8851    3.8462    0.3554 C   0  0  0  0  0
    5.5580    4.9269   -0.4689 C   0  0  0  0  0
    5.0530    5.2701   -1.7239 C   0  0  0  0  0
    5.7767    6.1119   -2.5746 C   0  0  0  0  0
    7.0041    6.6856   -2.1899 C   0  0  0  0  0
    7.4227    6.4465   -0.8723 C   0  0  0  0  0
    6.7283    5.5602   -0.0340 C   0  0  0  0  0
    7.8034    7.4693   -3.1751 C   0  0  0  0  0
    7.1134    8.3583   -4.0375 C   0  0  0  0  0
    7.7548    9.0679   -5.0567 C   0  0  0  0  0
    9.1221    8.9358   -5.2333 C   0  0  0  0  0
    9.8423    8.1031   -4.3818 C   0  0  0  0  0
    9.2073    7.3610   -3.3585 C   0  0  0  0  0
   10.0745    6.4965   -2.5657 C   0  0  0  0  0
   11.2704    6.8865   -2.0804 N   0  0  0  0  0
   11.6609    5.7553   -1.4773 N   0  0  0  0  0
   10.8208    4.7216   -1.5677 N   0  0  0  0  0
    9.8004    5.1808   -2.2797 N   0  0  0  0  0
    4.8875    2.4226   -5.3459 H   0  0  0  0  0
    3.5452    2.4956   -4.1919 H   0  0  0  0  0
    4.2646    0.9310   -4.6200 H   0  0  0  0  0
    5.7880    3.1740   -3.2109 H   0  0  0  0  0
    6.3935    1.5626   -3.5396 H   0  0  0  0  0
    4.6129    0.5783   -2.0826 H   0  0  0  0  0
    3.9589    2.1626   -1.7560 H   0  0  0  0  0
    7.3949    0.2381   -1.2126 H   0  0  0  0  0
    9.0564    1.6364    3.2878 H   0  0  0  0  0
    5.2785    4.2028    4.3588 H   0  0  0  0  0
    4.7397    4.2229    1.3685 H   0  0  0  0  0
    3.8703    3.6675   -0.0212 H   0  0  0  0  0
    4.1303    4.8243   -2.0879 H   0  0  0  0  0
    5.3861    6.2682   -3.5783 H   0  0  0  0  0
    8.3347    6.8995   -0.4898 H   0  0  0  0  0
    7.1422    5.3354    0.9458 H   0  0  0  0  0
    6.0396    8.5029   -3.9251 H   0  0  0  0  0
    7.1799    9.7175   -5.7116 H   0  0  0  0  0
    9.6303    9.4759   -6.0275 H   0  0  0  0  0
   10.9182    8.0121   -4.5294 H   0  0  0  0  0
   12.5466    5.6832   -0.9835 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
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 14  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 51  1  0  0  0
 26 27  2  0  0  0
 26 52  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 53  1  0  0  0
 31 32  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL128920

>  <PubChem CID>
44210646

>  <Formula>
C23H21N7O2

>  <Molecular Weight>
427.468000

>  <IUPAC Name>
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b]pyrazole-7-carboxylic acid

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCC1=CN2C(=C(C=N2)C(=O)O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

>  <Isomeric SMILES>
CCCC1=CN2C(=C(C=N2)C(=O)O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

>  <InChI Std. ID>
InChI=1S/C23H21N7O2/c1-2-5-17-14-30-22(20(12-24-30)23(31)32)29(17)13-15-8-10-16(11-9-15)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-4,6-12,14H,2,5,13H2,1H3,(H,31,32)(H,25,26,27,28)

>  <InChI Key>
FKSQNLMGHVITGQ-UHFFFAOYSA-N

