
 CHEMBL369391

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.0271   -4.5058   -0.0142 C   0  0  0  0  0
    3.1850   -3.5858   -0.0497 C   0  0  0  0  0
    3.3793   -2.3197   -0.5886 C   0  0  0  0  0
    4.7134   -1.9649   -0.2381 C   0  0  0  0  0
    5.2522   -3.0608    0.4181 C   0  0  0  0  0
    4.3214   -4.0375    0.5543 O   0  0  0  0  0
    6.5671   -3.1004    0.8454 C   0  0  0  0  0
    7.3139   -1.9638    0.5382 C   0  0  0  0  0
    6.7186   -0.8791   -0.1145 C   0  0  0  0  0
    5.4192   -0.8288   -0.4791 N   0  0  0  0  0
    7.4336    0.2876   -0.4146 N   0  0  0  0  0
    8.7959    0.3714   -0.5750 C   0  0  0  0  0
    9.5895   -0.5601   -0.6071 O   0  0  0  0  0
    9.3211    1.7410   -0.7744 C   0  0  0  0  0
    9.0148    2.7551    0.1424 C   0  0  0  0  0
    9.6160    4.0077    0.0057 C   0  0  0  0  0
   10.5020    4.2362   -1.0443 C   0  0  0  0  0
   10.8008    3.2367   -1.9653 C   0  0  0  0  0
   10.2156    1.9778   -1.8260 C   0  0  0  0  0
   11.0891    5.4341   -1.1598 F   0  0  0  0  0
    2.3825   -1.5118   -1.3621 C   0  0  0  0  0
    3.0007   -0.6822   -2.5053 C   0  0  0  0  0
    2.0072   -0.0432   -3.3962 N   0  0  0  0  0
    1.1974    0.9479   -2.6844 C   0  0  0  0  0
    2.7027    0.6045   -4.5145 C   0  0  0  0  0
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    6.8497    1.0519   -0.7269 H   0  0  0  0  0
    8.3559    2.5635    0.9857 H   0  0  0  0  0
    9.4205    4.7996    0.7221 H   0  0  0  0  0
   11.5020    3.4370   -2.7696 H   0  0  0  0  0
   10.4676    1.1797   -2.5211 H   0  0  0  0  0
    1.8588   -0.8587   -0.6550 H   0  0  0  0  0
    1.6325   -2.1898   -1.7903 H   0  0  0  0  0
    3.6249   -1.3558   -3.1086 H   0  0  0  0  0
    3.6667    0.0857   -2.0936 H   0  0  0  0  0
    0.5652    0.4700   -1.9298 H   0  0  0  0  0
    0.5117    1.4530   -3.3745 H   0  0  0  0  0
    1.8130    1.7105   -2.1940 H   0  0  0  0  0
    3.2708   -0.1309   -5.0948 H   0  0  0  0  0
    3.3942    1.3847   -4.1747 H   0  0  0  0  0
    1.9841    1.0596   -5.2055 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
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  2  6  1  0  0  0
  2  3  2  0  0  0
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  4  5  2  0  0  0
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  5  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL369391

>  <PubChem CID>
10991464

>  <Formula>
C19H20FN3O2

>  <Molecular Weight>
341.386000

>  <IUPAC Name>
N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C2=C(O1)C=CC(=N2)NC(=O)C3=CC=C(C=C3)F)CCN(C)C

>  <Isomeric SMILES>
CC1=C(C2=C(O1)C=CC(=N2)NC(=O)C3=CC=C(C=C3)F)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C19H20FN3O2/c1-12-15(10-11-23(2)3)18-16(25-12)8-9-17(21-18)22-19(24)13-4-6-14(20)7-5-13/h4-9H,10-11H2,1-3H3,(H,21,22,24)

>  <InChI Key>
GQSPCQAPLIPSQV-UHFFFAOYSA-N

