66557867
  -OEChem-04242409022D

 66 70  0     0  0  0  0  0  0999 V2000
    2.0000   -6.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000   -6.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1962    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0611   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4030   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
66557867

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
859

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAAB9AAAHwAQAAAADAzBmxY/9pbIFACoAjd3dACCiCk1IqAJ2CE+bNiMLvLE/duEMShs1BPI6ae4yECOCEACAAQCAAAQgAQACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-[[3-[4-(4-methoxyanilino)-1,3,5-triazin-2-yl]-2-pyridyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-[[3-[4-(4-methoxyanilino)-1,3,5-triazin-2-yl]-2-pyridinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-[[3-[4-(4-methoxyanilino)-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide

> <PUBCHEM_IUPAC_NAME>
N-[3-[[3-[4-(4-methoxyanilino)-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-[[3-[4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-methyl-3-[[3-[4-(p-anisidino)-s-triazin-2-yl]-2-pyridyl]amino]phenyl]-3-(trifluoromethyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H24F3N7O2/c1-18-8-9-22(37-28(41)19-5-3-6-20(15-19)30(31,32)33)16-25(18)39-26-24(7-4-14-34-26)27-35-17-36-29(40-27)38-21-10-12-23(42-2)13-11-21/h3-17H,1-2H3,(H,34,39)(H,37,41)(H,35,36,38,40)

> <PUBCHEM_IUPAC_INCHIKEY>
FLZNVZVIUIDCOF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.4

> <PUBCHEM_EXACT_MASS>
571.19435752

> <PUBCHEM_MOLECULAR_FORMULA>
C30H24F3N7O2

> <PUBCHEM_MOLECULAR_WEIGHT>
571.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=C(C=CC=N3)C4=NC(=NC=N4)NC5=CC=C(C=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=C(C=CC=N3)C4=NC(=NC=N4)NC5=CC=C(C=C5)OC

> <PUBCHEM_CACTVS_TPSA>
114

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
571.19435752

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  24  8
11  38  8
12  34  8
12  38  8
13  14  8
13  16  8
14  17  8
15  16  8
15  18  8
17  18  8
19  20  8
20  25  8
22  26  8
22  28  8
25  29  8
26  27  8
27  30  8
28  31  8
29  32  8
30  31  8
35  36  8
35  37  8
36  40  8
37  41  8
39  40  8
39  41  8
8  19  8
8  32  8
9  24  8
9  34  8

$$$$
