
 CHEMBL88525

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.3877   -1.2439   -0.4865 C   0  0  0  0  0
   -1.0975   -1.7885   -0.5025 C   0  0  0  0  0
    0.0284   -1.0132   -0.2861 C   0  0  0  0  0
    1.2348   -1.6137   -0.3125 N   0  0  0  0  0
    2.2683   -0.8003   -0.1004 C   0  0  0  0  0
    2.1907    0.5647    0.1330 C   0  0  0  0  0
    0.9746    1.1944    0.1663 C   0  0  0  0  0
   -0.1555    0.3847   -0.0480 C   0  0  0  0  0
   -1.4535    0.9243   -0.0293 C   0  0  0  0  0
   -2.5720    0.1141   -0.2421 C   0  0  0  0  0
   -3.7755    0.7613   -0.1838 O   0  0  0  0  0
   -4.9403   -0.0407   -0.3447 C   0  0  0  0  0
   -6.2027    0.7773   -0.1477 C   0  0  0  0  0
   -6.3012    1.9622    0.1208 O   0  0  0  0  0
   -7.3164    0.0221   -0.2987 O   0  0  0  0  0
    3.4781    1.0585    0.3014 N   0  0  0  0  0
    4.3738   -0.0132    0.1732 C   0  0  0  0  0
    5.5877    0.0461    0.2612 O   0  0  0  0  0
    3.6078   -1.1538   -0.0737 N   0  0  0  0  0
   -3.2185   -1.9178   -0.6682 H   0  0  0  0  0
   -0.9732   -2.8532   -0.6896 H   0  0  0  0  0
    0.8928    2.2586    0.3485 H   0  0  0  0  0
   -1.6049    1.9862    0.1562 H   0  0  0  0  0
   -4.9574   -0.8370    0.4081 H   0  0  0  0  0
   -4.9688   -0.4483   -1.3619 H   0  0  0  0  0
   -8.0509    0.6536   -0.1400 H   0  0  0  0  0
    3.7591    2.0082    0.4829 H   0  0  0  0  0
    3.9623   -2.0834   -0.2117 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  2  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5 19  1  0  0  0
  5  6  2  0  0  0
  6 16  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 12 25  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 26  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL88525

>  <PubChem CID>
14280992

>  <Formula>
C12H9N3O4

>  <Molecular Weight>
259.221000

>  <IUPAC Name>
2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetic acid

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC2=NC3=C(C=C2C=C1OCC(=O)O)NC(=O)N3

>  <Isomeric SMILES>
C1=CC2=NC3=C(C=C2C=C1OCC(=O)O)NC(=O)N3

>  <InChI Std. ID>
InChI=1S/C12H9N3O4/c16-10(17)5-19-7-1-2-8-6(3-7)4-9-11(13-8)15-12(18)14-9/h1-4H,5H2,(H,16,17)(H2,13,14,15,18)

>  <InChI Key>
ANBLGOPBKUCVNY-UHFFFAOYSA-N

