
 CHEMBL3286420

 44 48  0  0  0  0  0  0  0  0999 V2000
    0.6405   -0.1593    0.0698 C   0  0  0  0  0
    2.1050   -0.1237    0.0427 N   0  0  0  0  0
    2.8324    1.0601    0.0100 C   0  0  0  0  0
    2.3927    2.3565   -0.0165 C   0  0  0  0  0
    3.5778    3.1534   -0.0516 C   0  0  0  0  0
    4.6744    2.3711   -0.0418 N   0  0  0  0  0
    4.2024    1.1156   -0.0003 N   0  0  0  0  0
    4.9975   -0.0407    0.0153 C   0  0  0  0  0
    4.3416   -1.2781    0.0460 C   0  0  0  0  0
    2.8520   -1.3625    0.0803 C   0  0  0  0  0
    2.2507   -2.4209    0.1404 O   0  0  0  0  0
    5.0997   -2.4491    0.0413 C   0  0  0  0  0
    6.4977   -2.3729    0.0033 C   0  0  0  0  0
    7.1756   -1.1361   -0.0157 C   0  0  0  0  0
    6.3964    0.0363   -0.0053 C   0  0  0  0  0
    8.6546   -1.0768   -0.0521 C   0  0  0  0  0
    9.3305   -0.1230   -0.8350 C   0  0  0  0  0
   10.7276   -0.0685   -0.8724 C   0  0  0  0  0
   11.4814   -0.9737   -0.1325 C   0  0  0  0  0
   10.8393   -1.9289    0.6485 C   0  0  0  0  0
    9.4421   -1.9757    0.6912 C   0  0  0  0  0
    3.6835    4.6196   -0.0937 C   0  0  0  0  0
    4.9456    5.2403   -0.1178 C   0  0  0  0  0
    5.0599    6.6330   -0.1552 C   0  0  0  0  0
    3.9127    7.4132   -0.1690 C   0  0  0  0  0
    2.6539    6.8275   -0.1474 C   0  0  0  0  0
    2.5380    5.4339   -0.1100 C   0  0  0  0  0
    4.0192    8.7472   -0.2036 F   0  0  0  0  0
    0.2582   -1.1599   -0.1506 H   0  0  0  0  0
    0.2381    0.5228   -0.6858 H   0  0  0  0  0
    0.2910    0.1448    1.0609 H   0  0  0  0  0
    1.3685    2.6984   -0.0148 H   0  0  0  0  0
    4.6197   -3.4267    0.0586 H   0  0  0  0  0
    7.0627   -3.3050   -0.0254 H   0  0  0  0  0
    6.8848    1.0108   -0.0042 H   0  0  0  0  0
    8.7755    0.5889   -1.4424 H   0  0  0  0  0
   11.2255    0.6796   -1.4843 H   0  0  0  0  0
   12.5672   -0.9348   -0.1644 H   0  0  0  0  0
   11.4245   -2.6380    1.2289 H   0  0  0  0  0
    8.9761   -2.7251    1.3276 H   0  0  0  0  0
    5.8559    4.6429   -0.1066 H   0  0  0  0  0
    6.0355    7.1091   -0.1727 H   0  0  0  0  0
    1.7709    7.4593   -0.1591 H   0  0  0  0  0
    1.5381    5.0103   -0.0940 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  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 32  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 33  1  0  0  0
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 19 38  1  0  0  0
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 20 39  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
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 23 24  1  0  0  0
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 24 25  2  0  0  0
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 27 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3286420

>  <PubChem CID>
90681344

>  <Formula>
C23H16FN3O

>  <Molecular Weight>
369.399000

>  <IUPAC Name>
2-(4-fluorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C23H16FN3O/c1-26-22-14-20(16-7-10-18(24)11-8-16)25-27(22)21-13-17(9-12-19(21)23(26)28)15-5-3-2-4-6-15/h2-14H,1H3

>  <InChI Key>
BPCMNZSHMRXJCA-UHFFFAOYSA-N

