70245525
  -OEChem-04262414282D

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    6.3301    1.2601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.0447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -2.1060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.2601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -3.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8600   -2.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8600   -4.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3600   -5.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4690    0.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.4299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9426   -1.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2523   -1.4954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.1524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0500   -2.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1700   -2.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8230   -5.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -6.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8969   -5.8801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    5.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 19  1  0  0  0  0
  7 42  1  0  0  0  0
  8 29  1  0  0  0  0
  8 53  1  0  0  0  0
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 28 47  1  0  0  0  0
 29 32  2  0  0  0  0
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 31 51  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70245525

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
664

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHwAQAAAADAjBnww/8J/MGACoAzd3dACCgC03EqAJ2KG4dNiIaPrA3bGUIYholgLIyecYiEAOAAACQAAAAAAAAASAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N5-[(3-aminophenyl)methyl]-N2-[(4-fluoro-3-methyl-phenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N5-[(3-aminophenyl)methyl]-N2-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-<I>N</I>-[(3-aminophenyl)methyl]-2-<I>N</I>-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

> <PUBCHEM_IUPAC_NAME>
5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N5-[(3-aminophenyl)methyl]-N2-[(4-fluoranyl-3-methyl-phenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-(3-aminobenzyl)-N-(4-fluoro-3-methyl-benzyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22FN5O2/c1-15-10-17(8-9-19(15)25)13-27-23(31)20-14-30-21(6-3-7-22(30)29-20)24(32)28-12-16-4-2-5-18(26)11-16/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)

> <PUBCHEM_IUPAC_INCHIKEY>
YIIIEHYTDJCDMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
431.17575312

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22FN5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
431.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)CNC(=O)C2=CN3C(=N2)C=CC=C3C(=O)NCC4=CC(=CC=C4)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)CNC(=O)C2=CN3C(=N2)C=CC=C3C(=O)NCC4=CC(=CC=C4)N)F

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
431.17575312

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  14  8
11  12  8
13  20  8
14  20  8
18  22  8
18  24  8
21  25  8
21  26  8
22  23  8
23  27  8
24  28  8
25  29  8
26  31  8
27  28  8
29  32  8
31  32  8
4  10  8
4  11  8
4  9  8
5  10  8
5  12  8
9  13  8

$$$$