51147006
  -OEChem-05082417072D

 43 46  0     0  0  0  0  0  0999 V2000
    2.0000    5.1374    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5832   -2.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421    0.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2531   -4.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -1.1374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602    0.9503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -4.1374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    1.9014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5832   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832    0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -2.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -2.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -2.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    1.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -2.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -5.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    3.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    3.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    4.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7437   -1.2363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908   -1.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1658   -0.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5581    0.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082    0.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406   -0.5298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6391   -1.2201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -1.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -2.3275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651   -5.1374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -5.7575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -5.1374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    3.6888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    2.0395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    4.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644    3.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 20  2  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8 20  1  0  0  0  0
  8 22  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51147006

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
657

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAGAAAAWAAAAAwQAAAAAAAAAABwAAAHgIIAAAADCrBmiQyAIMABECqAyFyEACSAAAsBQAaiCG4DtgKZrKBtzmfMQBkzgGYqYeYyCCOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-methyl-6-oxo-pyridazine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-methyl-6-oxo-3-pyridazinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-<I>N</I>-cyclopropyl-1-methyl-6-oxopyridazine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-methyl-6-oxopyridazine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-keto-1-methyl-pyridazine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16ClN5O3/c1-23-16(25)9-8-14(22-23)18(26)24(13-6-7-13)10-15-20-21-17(27-15)11-2-4-12(19)5-3-11/h2-5,8-9,13H,6-7,10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KORCJIWNUDEBJJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
385.0941671

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16ClN5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
385.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C(=O)C=CC(=N1)C(=O)N(CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C4CC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C(=O)C=CC(=N1)C(=O)N(CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C4CC4

> <PUBCHEM_CACTVS_TPSA>
91.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.0941671

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  17  8
17  19  8
19  20  8
21  23  8
21  24  8
23  25  8
24  26  8
25  27  8
26  27  8
3  15  8
3  18  8
6  15  8
6  9  8
7  16  8
7  8  8
8  20  8
9  18  8

$$$$