
 CHEMBL1784103

 38 40  0  0  0  0  0  0  0  0999 V2000
    0.7275   -1.8711    0.2896 C   0  0  0  0  0
    2.0684   -1.1861    0.2968 C   0  0  0  0  0
    2.1801    0.2023    0.0938 C   0  0  0  0  0
    3.4500    0.8234    0.1049 C   0  0  0  0  0
    4.5473   -0.0270    0.3900 C   0  0  0  0  0
    5.9498    0.1173    0.5816 C   0  0  0  0  0
    6.4835   -1.1465    0.7515 C   0  0  0  0  0
    5.4686   -2.0622    0.7452 O   0  0  0  0  0
    4.3048   -1.3888    0.5438 C   0  0  0  0  0
    3.1205   -2.0161    0.4986 N   0  0  0  0  0
    7.8452   -1.5791    0.9841 C   0  0  0  0  0
    8.7275   -0.8114    1.3739 O   0  0  0  0  0
    8.2351   -3.0000    0.7383 C   0  0  0  0  0
    9.2744   -3.5507    1.5066 C   0  0  0  0  0
    9.6966   -4.8631    1.2826 C   0  0  0  0  0
    9.0891   -5.6180    0.2862 C   0  0  0  0  0
    8.0692   -5.0850   -0.4938 C   0  0  0  0  0
    7.6434   -3.7720   -0.2736 C   0  0  0  0  0
    9.4983   -6.8740    0.0672 F   0  0  0  0  0
    6.6465    1.2767    0.6009 N   0  0  0  0  0
    3.6287    2.2938   -0.1554 C   0  0  0  0  0
    3.6527    2.9702    1.0972 O   0  0  0  0  0
    3.6565    4.3816    0.9280 C   0  0  0  0  0
    0.7474    1.1465   -0.1762 Cl  0  0  0  0  0
    0.0763   -1.4523    1.0631 H   0  0  0  0  0
    0.8378   -2.9411    0.4974 H   0  0  0  0  0
    0.2513   -1.7706   -0.6904 H   0  0  0  0  0
    9.7588   -2.9575    2.2800 H   0  0  0  0  0
   10.4972   -5.2971    1.8733 H   0  0  0  0  0
    7.6159   -5.6911   -1.2727 H   0  0  0  0  0
    6.8602   -3.3663   -0.9095 H   0  0  0  0  0
    6.1763    2.1267    0.9089 H   0  0  0  0  0
    7.6109    1.2479    0.9439 H   0  0  0  0  0
    2.8384    2.6920   -0.8000 H   0  0  0  0  0
    4.5707    2.4727   -0.6856 H   0  0  0  0  0
    3.6420    4.8483    1.9173 H   0  0  0  0  0
    2.7680    4.7079    0.3768 H   0  0  0  0  0
    4.5635    4.6991    0.4035 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 20 32  1  0  0  0
 20 33  1  0  0  0
 21 22  1  0  0  0
 21 34  1  0  0  0
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 23 37  1  0  0  0
 23 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1784103

>  <PubChem CID>
54585881

>  <Formula>
C17H14ClFN2O3

>  <Molecular Weight>
348.758000

>  <IUPAC Name>
[3-amino-5-chloro-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=C2C(=C(OC2=N1)C(=O)C3=CC=C(C=C3)F)N)COC)Cl

>  <Isomeric SMILES>
CC1=C(C(=C2C(=C(OC2=N1)C(=O)C3=CC=C(C=C3)F)N)COC)Cl

>  <InChI Std. ID>
InChI=1S/C17H14ClFN2O3/c1-8-13(18)11(7-23-2)12-14(20)16(24-17(12)21-8)15(22)9-3-5-10(19)6-4-9/h3-6H,7,20H2,1-2H3

>  <InChI Key>
ADEWMBXHOGJXEG-UHFFFAOYSA-N

