
 CHEMBL259178

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.6977    0.3700   -1.5486 C   0  0  0  0  0
    3.0022   -1.1214   -1.5118 C   0  0  0  0  0
    1.7776   -1.9390   -1.9664 C   0  0  0  0  0
    2.0442   -3.3660   -1.9282 N   0  0  0  0  0
    2.6237   -4.0829   -2.9489 C   0  0  0  0  0
    2.9751   -3.4685   -4.0525 N   0  0  0  0  0
    3.5366   -4.2049   -5.1254 C   0  0  0  0  0
    3.8533   -3.5389   -6.3086 C   0  0  0  0  0
    4.3904   -4.2386   -7.3949 C   0  0  0  0  0
    4.6214   -5.6150   -7.3073 C   0  0  0  0  0
    4.3157   -6.3026   -6.1341 C   0  0  0  0  0
    3.7761   -5.5873   -5.0655 C   0  0  0  0  0
    3.4189   -6.1962   -3.8641 N   0  0  0  0  0
    2.8628   -5.5024   -2.8372 C   0  0  0  0  0
    2.5990   -6.3066   -1.8297 N   0  0  0  0  0
    3.0290   -7.5294   -2.3166 C   0  0  0  0  0
    3.5407   -7.4985   -3.5578 N   0  0  0  0  0
    2.9189   -8.7912   -1.5228 C   0  0  0  0  0
    2.3832   -8.9011   -0.2533 C   0  0  0  0  0
    2.4681  -10.2664    0.1127 C   0  0  0  0  0
    3.0540  -10.9088   -0.9515 C   0  0  0  0  0
    3.3299  -10.0275   -1.9460 O   0  0  0  0  0
    4.1444   -1.3382   -2.3449 O   0  0  0  0  0
    3.5736    0.9487   -1.2319 H   0  0  0  0  0
    1.8563    0.6248   -0.8983 H   0  0  0  0  0
    2.4634    0.6944   -2.5698 H   0  0  0  0  0
    3.2826   -1.4122   -0.4949 H   0  0  0  0  0
    1.4770   -1.6439   -2.9799 H   0  0  0  0  0
    0.9267   -1.7271   -1.3083 H   0  0  0  0  0
    1.9189   -3.8491   -1.0440 H   0  0  0  0  0
    3.6747   -2.4695   -6.3890 H   0  0  0  0  0
    4.6275   -3.7075   -8.3138 H   0  0  0  0  0
    5.0374   -6.1505   -8.1579 H   0  0  0  0  0
    4.4907   -7.3739   -6.0661 H   0  0  0  0  0
    1.9769   -8.0866    0.3308 H   0  0  0  0  0
    2.1435  -10.7262    1.0357 H   0  0  0  0  0
    3.3283  -11.9359   -1.1504 H   0  0  0  0  0
    3.8806   -1.9545   -3.0606 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 23  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
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 14 15  2  0  0  0
 15 16  1  0  0  0
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 18 22  1  0  0  0
 19 20  1  0  0  0
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 23 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL259178

>  <PubChem CID>
44452536

>  <Formula>
C16H15N5O2

>  <Molecular Weight>
309.329000

>  <IUPAC Name>
1-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]amino]propan-2-ol

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(CNC1=NC2=CC=CC=C2N3C1=NC(=N3)C4=CC=CO4)O

>  <Isomeric SMILES>
CC(CNC1=NC2=CC=CC=C2N3C1=NC(=N3)C4=CC=CO4)O

>  <InChI Std. ID>
InChI=1S/C16H15N5O2/c1-10(22)9-17-15-16-19-14(13-7-4-8-23-13)20-21(16)12-6-3-2-5-11(12)18-15/h2-8,10,22H,9H2,1H3,(H,17,18)

>  <InChI Key>
ADFYNOLTDCSOFK-UHFFFAOYSA-N

