53385261
  -OEChem-04232411222D

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    5.3718    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1722    7.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7379    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0433    8.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53385261

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
794

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7scAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB/AAAHwAQCAAADAjBnhw+yPPJkgCoAzX3XACCgCAxEiAI2aE4dJgIYPLAlZGUIAhglADIyAccicCegACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(3,4-difluorophenyl)-4-[methyl(3-pyridyl)amino]phenyl]-2-(1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(3,4-difluorophenyl)-4-[methyl(3-pyridinyl)amino]phenyl]-2-(1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(3,4-difluorophenyl)-4-[methyl(pyridin-3-yl)amino]phenyl]-2-(1<I>H</I>-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
N-[3-(3,4-difluorophenyl)-4-[methyl(pyridin-3-yl)amino]phenyl]-2-(1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-[3,4-bis(fluoranyl)phenyl]-4-[methyl(pyridin-3-yl)amino]phenyl]-2-(1H-indol-3-yl)ethanamide;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(3,4-difluorophenyl)-4-[methyl(3-pyridyl)amino]phenyl]-2-(1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H22F2N4O.C2HF3O2/c1-34(21-5-4-12-31-17-21)27-11-9-20(15-23(27)18-8-10-24(29)25(30)13-18)33-28(35)14-19-16-32-26-7-3-2-6-22(19)26;3-2(4,5)1(6)7/h2-13,15-17,32H,14H2,1H3,(H,33,35);(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
JQQQNXCYIGMROA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
582.16903142

> <PUBCHEM_MOLECULAR_FORMULA>
C30H23F5N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
582.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C1=CN=CC=C1)C2=C(C=C(C=C2)NC(=O)CC3=CNC4=CC=CC=C43)C5=CC(=C(C=C5)F)F.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C1=CN=CC=C1)C2=C(C=C(C=C2)NC(=O)CC3=CNC4=CC=CC=C43)C5=CC(=C(C=C5)F)F.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
98.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
582.16903142

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <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>
10  18  8
10  20  8
12  37  8
12  40  8
13  14  8
13  20  8
14  18  8
14  26  8
16  17  8
16  21  8
17  24  8
18  27  8
19  21  8
19  25  8
23  32  8
23  33  8
24  25  8
26  29  8
27  31  8
28  34  8
28  37  8
29  31  8
32  35  8
33  36  8
34  39  8
35  38  8
36  38  8
39  40  8

$$$$