3644637
  -OEChem-04242420492D

 47 50  0     0  0  0  0  0  0999 V2000
    2.0000    2.3323    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0761   -2.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333   -0.7364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3438   -3.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    3.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763   -0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870   -1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3653   -3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7225   -1.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6974   -4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010   -2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0116   -3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    4.4462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    4.7039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    2.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    3.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.8692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475    1.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8696   -0.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    0.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3729   -1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -1.3038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2360   -3.9182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2834   -4.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1589   -4.7464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1150   -1.6379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6183   -3.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  2  0  0  0  0
  7 24  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 33  1  0  0  0  0
 13 16  2  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3644637

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
551

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHgIQAAAADA7BniQ/xpPIFACoAzRnVASCiCAxdyAI2CA/fpiOZuLFs5ufOCjs1hPY6CewkMAODAACAAIDAAAYAAQABAYAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]indoline-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-5-methyl-<I>N</I>-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]indoline-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
GIUZEIJUFOPTMR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
394.1196536

> <PUBCHEM_MOLECULAR_FORMULA>
C21H19ClN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
394.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.1196536

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
10  11  8
10  12  8
11  13  8
12  14  8
13  16  8
14  16  8
18  19  8
18  20  8
19  21  8
21  22  8
23  24  8
23  25  8
25  27  8
27  28  8
6  20  8
6  22  8
7  24  8
7  28  8

$$$$