
 CHEMBL3288637

 44 48  0  0  0  0  0  0  0  0999 V2000
    0.6551   -0.1077    0.0349 C   0  0  0  0  0
    2.1195   -0.0980    0.0114 N   0  0  0  0  0
    2.8630    1.0758   -0.0039 C   0  0  0  0  0
    2.4396    2.3785    0.0128 C   0  0  0  0  0
    3.6349    3.1612   -0.0044 C   0  0  0  0  0
    4.7214    2.3647   -0.0338 N   0  0  0  0  0
    4.2329    1.1151   -0.0316 N   0  0  0  0  0
    5.0128   -0.0516   -0.0375 C   0  0  0  0  0
    4.3415   -1.2807   -0.0042 C   0  0  0  0  0
    2.8507   -1.3459    0.0139 C   0  0  0  0  0
    2.2364   -2.4001    0.0341 O   0  0  0  0  0
    5.0864   -2.4604    0.0166 C   0  0  0  0  0
    6.4860   -2.4003    0.0066 C   0  0  0  0  0
    7.1780   -1.1723   -0.0392 C   0  0  0  0  0
    6.4125    0.0086   -0.0635 C   0  0  0  0  0
    8.6578   -1.1309   -0.0529 C   0  0  0  0  0
    9.4097   -2.0585   -0.7975 C   0  0  0  0  0
   10.8080   -2.0280   -0.8016 C   0  0  0  0  0
   11.4867   -1.0613   -0.0673 C   0  0  0  0  0
   10.7684   -0.1276    0.6727 C   0  0  0  0  0
    9.3699   -0.1651    0.6822 C   0  0  0  0  0
    3.7577    4.6263    0.0093 C   0  0  0  0  0
    2.6243    5.4542    0.0249 C   0  0  0  0  0
    2.7552    6.8470    0.0369 C   0  0  0  0  0
    4.0192    7.4311    0.0343 C   0  0  0  0  0
    5.1539    6.6253    0.0199 C   0  0  0  0  0
    5.0240    5.2337    0.0076 C   0  0  0  0  0
    0.2531   -1.1223   -0.0176 H   0  0  0  0  0
    0.2728    0.4546   -0.8227 H   0  0  0  0  0
    0.3047    0.3567    0.9618 H   0  0  0  0  0
    1.4205    2.7333    0.0392 H   0  0  0  0  0
    4.5948   -3.4319    0.0500 H   0  0  0  0  0
    7.0407   -3.3376    0.0489 H   0  0  0  0  0
    6.9117    0.9764   -0.1127 H   0  0  0  0  0
    8.9137   -2.8175   -1.3978 H   0  0  0  0  0
   11.3652   -2.7586   -1.3826 H   0  0  0  0  0
   12.5733   -1.0353   -0.0716 H   0  0  0  0  0
   11.2950    0.6300    1.2484 H   0  0  0  0  0
    8.8434    0.5699    1.2878 H   0  0  0  0  0
    1.6199    5.0423    0.0267 H   0  0  0  0  0
    1.8688    7.4772    0.0479 H   0  0  0  0  0
    4.1200    8.5139    0.0428 H   0  0  0  0  0
    6.1425    7.0776    0.0176 H   0  0  0  0  0
    5.9275    4.6267   -0.0040 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  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 31  1  0  0  0
  5  6  2  0  0  0
  5 22  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 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 40  1  0  0  0
 24 25  2  0  0  0
 24 41  1  0  0  0
 25 26  1  0  0  0
 25 42  1  0  0  0
 26 27  2  0  0  0
 26 43  1  0  0  0
 27 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3288637

>  <PubChem CID>
90643955

>  <Formula>
C23H17N3O

>  <Molecular Weight>
351.409000

>  <IUPAC Name>
4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C23H17N3O/c1-25-22-15-20(17-10-6-3-7-11-17)24-26(22)21-14-18(12-13-19(21)23(25)27)16-8-4-2-5-9-16/h2-15H,1H3

>  <InChI Key>
DGKIZEFUZLOZHA-UHFFFAOYSA-N

