
 CHEMBL3288644

 43 47  0  0  0  0  0  0  0  0999 V2000
    0.6495   -0.1117    0.0455 C   0  0  0  0  0
    2.1147   -0.1000    0.0198 N   0  0  0  0  0
    2.8577    1.0735   -0.0236 C   0  0  0  0  0
    2.4368    2.3773   -0.0404 C   0  0  0  0  0
    3.6342    3.1567   -0.0794 C   0  0  0  0  0
    4.7184    2.3579   -0.0877 N   0  0  0  0  0
    4.2274    1.1102   -0.0514 N   0  0  0  0  0
    5.0075   -0.0561   -0.0261 C   0  0  0  0  0
    4.3364   -1.2834    0.0402 C   0  0  0  0  0
    2.8460   -1.3471    0.0658 C   0  0  0  0  0
    2.2321   -2.3991    0.1260 O   0  0  0  0  0
    5.0829   -2.4611    0.0886 C   0  0  0  0  0
    6.4831   -2.4011    0.0712 C   0  0  0  0  0
    7.1753   -1.1742   -0.0056 C   0  0  0  0  0
    6.4077    0.0045   -0.0571 C   0  0  0  0  0
    8.6524   -1.1309   -0.0250 C   0  0  0  0  0
    9.3791   -0.1433    0.6470 C   0  0  0  0  0
   10.7313   -0.0449    0.6694 N   0  0  0  0  0
   11.4182   -0.9848   -0.0087 C   0  0  0  0  0
   10.8140   -2.0134   -0.7075 C   0  0  0  0  0
    9.4201   -2.0805   -0.7159 C   0  0  0  0  0
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    1.4182    2.7346   -0.0232 H   0  0  0  0  0
    4.5920   -3.4319    0.1477 H   0  0  0  0  0
    7.0365   -3.3386    0.1342 H   0  0  0  0  0
    6.9021    0.9736   -0.1329 H   0  0  0  0  0
    8.8808    0.6308    1.2255 H   0  0  0  0  0
   12.4997   -0.8868    0.0249 H   0  0  0  0  0
   11.4125   -2.7459   -1.2382 H   0  0  0  0  0
    8.9451   -2.8792   -1.2804 H   0  0  0  0  0
    1.6247    5.0571   -0.1026 H   0  0  0  0  0
    4.1309    8.5067   -0.1895 H   0  0  0  0  0
    6.1651    7.0625   -0.1710 H   0  0  0  0  0
    5.9354    4.6117   -0.1195 H   0  0  0  0  0
  1  2  1  0  0  0
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  2 10  1  0  0  0
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  5  6  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3288644

>  <PubChem CID>
90643958

>  <Formula>
C22H15FN4O

>  <Molecular Weight>
370.387000

>  <IUPAC Name>
2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C22H15FN4O/c1-26-21-12-19(15-4-2-6-17(23)10-15)25-27(21)20-11-14(7-8-18(20)22(26)28)16-5-3-9-24-13-16/h2-13H,1H3

>  <InChI Key>
CUCDJEVVTQFIJG-UHFFFAOYSA-N

