
 CHEMBL106986

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.9009    0.7108   -3.5703 C   0  0  0  0  0
    0.9395    0.3336   -2.2301 C   0  0  0  0  0
    2.1267    0.4492   -1.5068 C   0  0  0  0  0
    3.2915    0.9352   -2.1182 C   0  0  0  0  0
    3.2443    1.3022   -3.4697 C   0  0  0  0  0
    2.0520    1.1952   -4.1896 C   0  0  0  0  0
    4.5710    1.0644   -1.3226 C   0  0  0  0  0
    5.4498   -0.1952   -1.3141 C   0  0  0  0  0
    4.7836   -1.3054   -0.6407 N   0  0  0  0  0
    5.5462   -2.4778   -0.5728 C   0  0  0  0  0
    6.9209   -2.4421   -0.4502 N   0  0  0  0  0
    7.7018   -3.5665   -0.3695 C   0  0  0  0  0
    9.0738   -3.4055   -0.2582 C   0  0  0  0  0
    9.9586   -4.4937   -0.1847 C   0  0  0  0  0
    9.4787   -5.7994   -0.2168 C   0  0  0  0  0
    8.1107   -6.0224   -0.3207 C   0  0  0  0  0
    7.2381   -4.9119   -0.3972 C   0  0  0  0  0
    5.8347   -4.9251   -0.5169 C   0  0  0  0  0
    5.0306   -6.0289   -0.5667 C   0  0  0  0  0
    3.7432   -5.5554   -0.7044 N   0  0  0  0  0
    3.7000   -4.1936   -0.7505 N   0  0  0  0  0
    4.9785   -3.7861   -0.6130 C   0  0  0  0  0
    2.5520   -6.3357   -0.8005 C   0  0  0  0  0
    1.3184   -5.7085   -1.0180 C   0  0  0  0  0
    0.1503   -6.4696   -1.1151 C   0  0  0  0  0
    0.2037   -7.8576   -0.9898 C   0  0  0  0  0
    1.4257   -8.4874   -0.7707 C   0  0  0  0  0
    2.5989   -7.7350   -0.6781 C   0  0  0  0  0
   -0.0265    0.6296   -4.1309 H   0  0  0  0  0
    0.0446   -0.0464   -1.7445 H   0  0  0  0  0
    2.1406    0.1575   -0.4580 H   0  0  0  0  0
    4.1310    1.6853   -3.9693 H   0  0  0  0  0
    2.0194    1.4939   -5.2342 H   0  0  0  0  0
    4.3239    1.3567   -0.2938 H   0  0  0  0  0
    5.1559    1.8976   -1.7343 H   0  0  0  0  0
    6.3774    0.0597   -0.7853 H   0  0  0  0  0
    5.7122   -0.4759   -2.3418 H   0  0  0  0  0
    3.8680   -1.5436   -1.0214 H   0  0  0  0  0
    9.4795   -2.3964   -0.2275 H   0  0  0  0  0
   11.0284   -4.3117   -0.1036 H   0  0  0  0  0
   10.1681   -6.6393   -0.1673 H   0  0  0  0  0
    7.7277   -7.0385   -0.3473 H   0  0  0  0  0
    5.2587   -7.0804   -0.5229 H   0  0  0  0  0
    1.2490   -4.6250   -1.1205 H   0  0  0  0  0
   -0.8040   -5.9787   -1.2887 H   0  0  0  0  0
   -0.7060   -8.4470   -1.0614 H   0  0  0  0  0
    1.4678   -9.5694   -0.6688 H   0  0  0  0  0
    3.5224   -8.2728   -0.5016 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 18 22  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 44  1  0  0  0
 25 26  2  0  0  0
 25 45  1  0  0  0
 26 27  1  0  0  0
 26 46  1  0  0  0
 27 28  2  0  0  0
 27 47  1  0  0  0
 28 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL106986

>  <PubChem CID>
10522801

>  <Formula>
C24H20N4

>  <Molecular Weight>
364.452000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3C4=CN(N=C42)C5=CC=CC=C5

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3C4=CN(N=C42)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H20N4/c1-3-9-18(10-4-1)15-16-25-24-23-21(20-13-7-8-14-22(20)26-24)17-28(27-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,25,26)

>  <InChI Key>
CYSDHZJPDQKSJB-UHFFFAOYSA-N

