
 CHEMBL3298463

 43 46  0  0  0  0  0  0  0  0999 V2000
   -1.1043    1.2138    1.1559 C   0  0  0  0  0
   -2.4293    0.6913    0.6269 C   0  0  0  0  0
   -2.6238   -0.7396    0.8911 N   0  0  0  0  0
   -1.5308   -1.6116    0.6878 C   0  0  0  0  0
   -1.5810   -2.8385    0.6545 O   0  0  0  0  0
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    0.0141    0.3579    0.6602 C   0  0  0  0  0
    1.2216    0.9595    0.4921 N   0  0  0  0  0
    2.2735    0.1894    0.1048 C   0  0  0  0  0
    2.1472   -1.1835   -0.0913 C   0  0  0  0  0
    0.8993   -1.7800    0.0863 C   0  0  0  0  0
    3.6160    0.8826   -0.0034 C   0  0  0  0  0
    4.4270    0.2949   -1.0248 O   0  0  0  0  0
    5.6884    0.8080   -1.1742 C   0  0  0  0  0
    6.2174    1.8960   -0.4813 C   0  0  0  0  0
    7.5239    2.3059   -0.7408 C   0  0  0  0  0
    8.3151    1.6539   -1.6780 C   0  0  0  0  0
    7.7912    0.5694   -2.3749 C   0  0  0  0  0
    6.4809    0.1506   -2.1227 C   0  0  0  0  0
    8.0254    3.3515   -0.0708 F   0  0  0  0  0
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    3.0042   -1.7881   -0.3734 H   0  0  0  0  0
    0.7865   -2.8518   -0.0612 H   0  0  0  0  0
    4.1107    0.7934    0.9716 H   0  0  0  0  0
    3.4385    1.9388   -0.2407 H   0  0  0  0  0
    5.6560    2.4530    0.2595 H   0  0  0  0  0
    9.3293    1.9960   -1.8587 H   0  0  0  0  0
    8.3964    0.0494   -3.1127 H   0  0  0  0  0
    6.0745   -0.6967   -2.6706 H   0  0  0  0  0
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   -5.6578   -4.0015    2.2366 H   0  0  0  0  0
   -7.2552   -0.2678    0.9042 H   0  0  0  0  0
   -5.0118    0.5675    0.4509 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3298463

>  <PubChem CID>
68008456

>  <Formula>
C21H16F2N2O2

>  <Molecular Weight>
366.368000

>  <IUPAC Name>
2-[(3-fluorophenoxy)methyl]-6-(4-fluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(C(=O)C2=C1N=C(C=C2)COC3=CC(=CC=C3)F)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(C(=O)C2=C1N=C(C=C2)COC3=CC(=CC=C3)F)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H16F2N2O2/c22-14-4-7-17(8-5-14)25-11-10-20-19(21(25)26)9-6-16(24-20)13-27-18-3-1-2-15(23)12-18/h1-9,12H,10-11,13H2

>  <InChI Key>
BHCSFEWFNXLJEJ-UHFFFAOYSA-N

