
 CHEMBL107637

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.8337    0.1768    0.7062 C   0  0  0  0  0
    2.2609    0.0777    0.2437 C   0  0  0  0  0
    2.9871    1.2890    0.2169 C   0  0  0  0  0
    4.3414    1.3253   -0.1114 C   0  0  0  0  0
    5.0056    0.1480   -0.4185 C   0  0  0  0  0
    4.3074   -1.0596   -0.4193 C   0  0  0  0  0
    2.9277   -1.1148   -0.1190 C   0  0  0  0  0
    2.3034   -2.4027   -0.2096 N   0  0  0  0  0
    0.9664   -2.7146   -0.3434 C   0  0  0  0  0
    0.8883   -4.0811   -0.3620 C   0  0  0  0  0
   -0.2744   -4.8736   -0.4585 C   0  0  0  0  0
   -1.6166   -4.4331   -0.5481 C   0  0  0  0  0
   -2.6326   -5.3771   -0.6302 C   0  0  0  0  0
   -2.3124   -6.7327   -0.6219 C   0  0  0  0  0
   -0.9748   -7.1493   -0.5317 C   0  0  0  0  0
    0.0800   -6.2542   -0.4487 C   0  0  0  0  0
    1.3518   -6.7612   -0.3646 N   0  0  0  0  0
    2.4658   -5.9651   -0.2984 C   0  0  0  0  0
    2.2285   -4.5660   -0.2862 C   0  0  0  0  0
    3.0793   -3.5273   -0.2112 N   0  0  0  0  0
    3.7196   -6.5572   -0.2217 N   0  0  0  0  0
    0.6622    1.1027    1.2680 H   0  0  0  0  0
    0.5839   -0.6355    1.3952 H   0  0  0  0  0
    0.1531    0.1858   -0.1499 H   0  0  0  0  0
    2.4970    2.2268    0.4762 H   0  0  0  0  0
    4.8769    2.2712   -0.1146 H   0  0  0  0  0
    6.0634    0.1637   -0.6671 H   0  0  0  0  0
    4.8575   -1.9612   -0.6880 H   0  0  0  0  0
    0.2033   -1.9648   -0.4489 H   0  0  0  0  0
   -1.8583   -3.3750   -0.5536 H   0  0  0  0  0
   -3.6702   -5.0618   -0.7009 H   0  0  0  0  0
   -3.1019   -7.4778   -0.6867 H   0  0  0  0  0
   -0.7543   -8.2153   -0.5293 H   0  0  0  0  0
    3.6611   -7.5004    0.1388 H   0  0  0  0  0
    4.4173   -5.9421    0.1815 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  8 20  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 19  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 21 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL107637

>  <PubChem CID>
10492556

>  <Formula>
C17H14N4

>  <Molecular Weight>
274.327000

>  <IUPAC Name>
2-(2-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1N2C=C3C4=CC=CC=C4N=C(C3=N2)N

>  <Isomeric SMILES>
CC1=CC=CC=C1N2C=C3C4=CC=CC=C4N=C(C3=N2)N

>  <InChI Std. ID>
InChI=1S/C17H14N4/c1-11-6-2-5-9-15(11)21-10-13-12-7-3-4-8-14(12)19-17(18)16(13)20-21/h2-10H,1H3,(H2,18,19)

>  <InChI Key>
AHOSTJOZMPTPLO-UHFFFAOYSA-N

