67867992
  -OEChem-04262409402D

 38 38  0     0  0  0  0  0  0999 V2000
    5.6747    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9214    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7879    9.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    4.9220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    3.3126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348    3.6173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7449    9.8809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2668    4.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5237    5.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7967    4.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2668    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5022    6.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    6.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4008    5.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1450    7.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7967    4.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8129    7.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1665    7.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4008    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348    4.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4557    8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4342    8.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9163    5.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2492    6.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4008    5.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7967    3.4973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167    4.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7967    4.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4196    7.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7525    8.0288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4008    2.4973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978    4.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4548    8.3107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0480    8.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3516   10.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3308   10.3423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6747    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    4.9214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3 21  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  2  0  0  0  0
 13 24  1  0  0  0  0
 14 20  2  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67867992

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
354

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzoAAGAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgAQAAAADAzBnwQ/0LdMEACoA7Z3ZACCgC01EqAJ2KG4dNiIaPLA3dGUJQhogALIyacYiYCeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-1-[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N4O.2ClH/c1-10-18-13-9-17-7-6-14(13)19(10)12-4-2-11(3-5-12)15(20)8-16;;/h2-7,9H,8,16H2,1H3;2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
AIBJJOWUZDYCPS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
338.0701165

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16Cl2N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
339.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)CN)C=CN=C2.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)CN)C=CN=C2.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
73.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.0701165

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  19  8
12  17  8
13  18  8
14  20  8
15  17  8
15  18  8
4  10  8
4  8  8
5  10  8
5  11  8
6  19  8
6  20  8
8  11  8
8  14  8
9  12  8
9  13  8

$$$$