
 CHEMBL106740

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.7158    1.3806    0.2461 C   0  0  0  0  0
   -3.2712    0.1019    0.1447 C   0  0  0  0  0
   -2.4481   -1.0169   -0.0024 C   0  0  0  0  0
   -1.0645   -0.8526   -0.0480 C   0  0  0  0  0
   -0.5043    0.4417    0.0550 C   0  0  0  0  0
   -1.3310    1.5554    0.2017 C   0  0  0  0  0
    0.9330    0.5121   -0.0025 C   0  0  0  0  0
    1.7997    1.5711    0.0638 C   0  0  0  0  0
    3.0724    1.0369   -0.0472 N   0  0  0  0  0
    3.0391   -0.3186   -0.1806 N   0  0  0  0  0
    1.7380   -0.6323   -0.1524 C   0  0  0  0  0
    1.1514   -1.9712   -0.2584 C   0  0  0  0  0
    1.7893   -3.0127   -0.3902 O   0  0  0  0  0
   -0.2385   -1.9946   -0.1979 N   0  0  0  0  0
    4.3166    1.7318   -0.0348 C   0  0  0  0  0
    4.3728    3.1261    0.1051 C   0  0  0  0  0
    5.6107    3.7796    0.1134 C   0  0  0  0  0
    6.7893    3.0470   -0.0175 C   0  0  0  0  0
    6.7452    1.6627   -0.1570 C   0  0  0  0  0
    5.5118    1.0046   -0.1657 C   0  0  0  0  0
    8.3055    3.8593   -0.0064 Cl  0  0  0  0  0
   -3.3670    2.2446    0.3603 H   0  0  0  0  0
   -4.3514   -0.0219    0.1805 H   0  0  0  0  0
   -2.8983   -2.0024   -0.0797 H   0  0  0  0  0
   -0.9182    2.5567    0.2821 H   0  0  0  0  0
    1.6293    2.6293    0.1763 H   0  0  0  0  0
   -0.6533   -2.9135   -0.2702 H   0  0  0  0  0
    3.4808    3.7354    0.2101 H   0  0  0  0  0
    5.6484    4.8607    0.2225 H   0  0  0  0  0
    7.6615    1.0873   -0.2594 H   0  0  0  0  0
    5.4995   -0.0794   -0.2760 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4 14  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 25  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 27  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 30  1  0  0  0
 20 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL106740

>  <PubChem CID>
10517992

>  <Formula>
C16H10ClN3O

>  <Molecular Weight>
295.726000

>  <IUPAC Name>
2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C2C(=C1)C3=CN(N=C3C(=O)N2)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C3=CN(N=C3C(=O)N2)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)18-16(21)15(13)19-20/h1-9H,(H,18,21)

>  <InChI Key>
AXFIIVHPUHXMCS-UHFFFAOYSA-N

