
 CHEMBL3288666

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.5957   -0.0304    0.0193 C   0  0  0  0  0
    2.0609   -0.0452    0.0163 N   0  0  0  0  0
    2.8236    1.1160    0.0018 C   0  0  0  0  0
    2.4206    2.4249   -0.0208 C   0  0  0  0  0
    3.6281    3.1883   -0.0280 C   0  0  0  0  0
    4.7023    2.3754   -0.0135 N   0  0  0  0  0
    4.1945    1.1330    0.0078 N   0  0  0  0  0
    4.9553   -0.0468    0.0214 C   0  0  0  0  0
    4.2621   -1.2645    0.0259 C   0  0  0  0  0
    2.7699   -1.3063    0.0348 C   0  0  0  0  0
    2.1388   -2.3480    0.0575 O   0  0  0  0  0
    4.9854   -2.4571    0.0173 C   0  0  0  0  0
    6.3855   -2.4221    0.0025 C   0  0  0  0  0
    7.1014   -1.2064    0.0112 C   0  0  0  0  0
    6.3566   -0.0116    0.0236 C   0  0  0  0  0
    8.5827   -1.1942   -0.0008 C   0  0  0  0  0
    9.3039   -0.2413   -0.7386 C   0  0  0  0  0
   10.7039   -0.2408   -0.7530 C   0  0  0  0  0
   11.4260   -1.1973   -0.0415 C   0  0  0  0  0
   10.7328   -2.1500    0.6986 C   0  0  0  0  0
    9.3303   -2.1426    0.7210 C   0  0  0  0  0
   12.7838   -1.0893   -0.1483 O   0  0  0  0  0
   13.5624   -2.0950    0.4885 C   0  0  0  0  0
    3.7739    4.6516   -0.0462 C   0  0  0  0  0
    2.6531    5.4973   -0.0107 C   0  0  0  0  0
    2.8054    6.8892   -0.0208 C   0  0  0  0  0
    4.0790    7.4491   -0.0675 C   0  0  0  0  0
    5.2026    6.6298   -0.1058 C   0  0  0  0  0
    5.0496    5.2390   -0.0954 C   0  0  0  0  0
    4.2619    9.1585   -0.0757 Cl  0  0  0  0  0
    0.1775   -1.0400   -0.0071 H   0  0  0  0  0
    0.2350    0.5115   -0.8605 H   0  0  0  0  0
    0.2401    0.4674    0.9267 H   0  0  0  0  0
    1.4066    2.7945   -0.0318 H   0  0  0  0  0
    4.4766   -3.4202    0.0139 H   0  0  0  0  0
    6.9209   -3.3711   -0.0309 H   0  0  0  0  0
    6.8726    0.9484    0.0440 H   0  0  0  0  0
    8.7889    0.5124   -1.3300 H   0  0  0  0  0
   11.2353    0.5105   -1.3328 H   0  0  0  0  0
   11.2478   -2.9114    1.2752 H   0  0  0  0  0
    8.8294   -2.8943    1.3280 H   0  0  0  0  0
   14.6162   -1.8804    0.2863 H   0  0  0  0  0
   13.3391   -3.0856    0.0785 H   0  0  0  0  0
   13.4212   -2.0753    1.5741 H   0  0  0  0  0
    1.6427    5.1009    0.0292 H   0  0  0  0  0
    1.9268    7.5292    0.0097 H   0  0  0  0  0
    6.1994    7.0618   -0.1421 H   0  0  0  0  0
    5.9431    4.6173   -0.1244 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8 15  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 23 42  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 26 27  2  0  0  0
 26 46  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 47  1  0  0  0
 29 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3288666

>  <PubChem CID>
90681346

>  <Formula>
C24H18ClN3O2

>  <Molecular Weight>
415.877000

>  <IUPAC Name>
2-(4-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2=CC(=NN2C3=C(C1=O)C=CC(=C3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
CN1C2=CC(=NN2C3=C(C1=O)C=CC(=C3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C24H18ClN3O2/c1-27-23-14-21(16-3-8-18(25)9-4-16)26-28(23)22-13-17(7-12-20(22)24(27)29)15-5-10-19(30-2)11-6-15/h3-14H,1-2H3

>  <InChI Key>
DGGSOTYIJZMYPJ-UHFFFAOYSA-N

