
 CHEMBL106950

 36 38  0  0  0  0  0  0  0  0999 V2000
   -3.1090    1.0080    0.4492 C   0  0  0  0  0
   -2.7296    2.3158    0.7012 C   0  0  0  0  0
   -1.4009    2.6922    0.5203 C   0  0  0  0  0
   -0.4222    1.7741    0.0845 C   0  0  0  0  0
   -0.7953    0.4286   -0.1772 C   0  0  0  0  0
   -2.1580    0.0793    0.0193 C   0  0  0  0  0
    0.2241   -0.4753   -0.5973 C   0  0  0  0  0
    1.5503   -0.0471   -0.7641 C   0  0  0  0  0
    1.9000    1.2737   -0.5109 C   0  0  0  0  0
    0.9226    2.1676   -0.0850 C   0  0  0  0  0
    1.2784    3.4652    0.1834 O   0  0  0  0  0
   -0.0653   -1.9108   -0.8376 C   0  0  0  0  0
    0.8810   -2.7962   -0.9211 N   0  0  0  0  0
    0.4533   -4.0810   -1.0661 N   0  0  0  0  0
    1.2789   -5.1700   -1.1973 C   0  0  0  0  0
    0.7930   -6.2873   -1.3804 O   0  0  0  0  0
    2.7630   -4.9842   -1.1842 C   0  0  0  0  0
    3.3810   -4.1861   -0.2938 C   0  0  0  0  0
    4.7512   -4.0557   -0.2972 N   0  0  0  0  0
    5.5842   -4.7167   -1.1672 C   0  0  0  0  0
    6.8002   -4.5693   -1.1678 O   0  0  0  0  0
    4.9188   -5.6447   -2.1169 C   0  0  0  0  0
    3.5827   -5.7606   -2.1038 C   0  0  0  0  0
   -4.1432    0.7041    0.5891 H   0  0  0  0  0
   -3.4608    3.0448    1.0409 H   0  0  0  0  0
   -1.1221    3.7247    0.7280 H   0  0  0  0  0
   -2.5163   -0.9315   -0.1531 H   0  0  0  0  0
    2.3204   -0.7432   -1.0927 H   0  0  0  0  0
    2.9316    1.5841   -0.6453 H   0  0  0  0  0
    2.2371    3.5643    0.0674 H   0  0  0  0  0
   -1.1191   -2.2178   -0.9254 H   0  0  0  0  0
   -0.5390   -4.2856   -1.1157 H   0  0  0  0  0
    2.8502   -3.6090    0.4562 H   0  0  0  0  0
    5.2048   -3.4367    0.3628 H   0  0  0  0  0
    5.5542   -6.2071   -2.7860 H   0  0  0  0  0
    3.0779   -6.4463   -2.7768 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 23  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 35  1  0  0  0
 23 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL106950

>  <PubChem CID>
135407749

>  <Formula>
C17H13N3O3

>  <Molecular Weight>
307.309000

>  <IUPAC Name>
N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]-6-oxo-1H-pyridine-3-carboxamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=CC=C2O)C=NNC(=O)C3=CNC(=O)C=C3

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=CC=C2O)/C=N/NC(=O)C3=CNC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C17H13N3O3/c21-15-7-5-11(13-3-1-2-4-14(13)15)10-19-20-17(23)12-6-8-16(22)18-9-12/h1-10,21H,(H,18,22)(H,20,23)/b19-10+

>  <InChI Key>
CABLPDYMBWXPSW-VXLYETTFSA-N

