72201049
  -OEChem-04192413292D

 49 51  0     0  0  0  0  0  0999 V2000
    0.5369    7.1261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5776   11.7445    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7240    5.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130    2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    7.3213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3704    6.1646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9702    4.0573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8807    0.9996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    8.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648    8.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3919    6.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6811    5.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0132    4.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6596    5.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3239    3.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024    3.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5916    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9022    1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2594    2.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2344    0.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    2.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5486    1.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6186    9.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8302    9.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1257    7.7113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1257    8.5408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.5061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    9.6630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    8.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7845    6.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066    4.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0736    5.4693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098    3.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0668    3.4899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7729    0.8755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8203    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6958    0.0474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6520    3.1558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1552    1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5776   11.7445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 49  1  0  0  0  0
  3 16  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
72201049

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
551

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAGAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHgIQAAAADA7BniQ/xpPIFACoAzRnVASCiCAxdyAI2CA/fpiOZuLFs5ufOCjs1hPY6CewkMAODAACAAIDAAAYAAQABAYAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H19ClN4O2.ClH/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);1H

> <PUBCHEM_IUPAC_INCHIKEY>
WOKOGXKQXNESDA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
430.0963313

> <PUBCHEM_MOLECULAR_FORMULA>
C21H20Cl2N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
431.3

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

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

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
430.0963313

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
12  14  8
13  15  8
14  17  8
15  17  8
19  20  8
19  21  8
20  22  8
22  23  8
24  25  8
24  26  8
26  28  8
28  29  8
7  21  8
7  23  8
8  25  8
8  29  8

$$$$