24881328
  -OEChem-05072413082D

 58 60  0     0  0  0  0  0  0999 V2000
    6.3279    8.9060    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -8.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    4.4428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.5960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    4.4428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -7.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548    5.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6761    3.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5481    6.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5536    6.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1359    6.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468    7.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292    7.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7346    7.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -4.6786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -3.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -4.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -4.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -2.5134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -6.1786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -5.4884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -3.1786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -2.4884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -5.5134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -6.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3855    4.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4688    5.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2657    3.3002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1892    5.7683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7525    6.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5302    7.2483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0936    8.3895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 16  2  0  0  0  0
  3 17  2  0  0  0  0
  4  7  1  0  0  0  0
  4 58  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  5 45  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 26  1  0  0  0  0
  7 17  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 27  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 26  2  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 55  1  0  0  0  0
 30 32  2  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 31 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24881328

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
580

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAcCAAADAjBngw8wJLYAACqAzV3VACCBAQxkgA42CE4dJgIYLLAkZGUIAhglADIyAcYiICOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[1-[(4-fluorophenyl)methyl]-4-triazolyl]phenyl]-N'-hydroxyoctanediamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]-<I>N</I>&apos;-hydroxyoctanediamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]-N'-hydroxyoctanediamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[1-[(4-fluorophenyl)methyl]-1,2,3-triazol-4-yl]phenyl]-N'-oxidanyl-octanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[1-(4-fluorobenzyl)triazol-4-yl]phenyl]-8-(hydroxyamino)-8-keto-caprylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)

> <PUBCHEM_IUPAC_INCHIKEY>
JTDWOKCJBXCOBD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
439.20196787

> <PUBCHEM_MOLECULAR_FORMULA>
C23H26FN5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
439.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1CN2C=C(N=N2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1CN2C=C(N=N2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)F

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
439.20196787

> <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>
18  22  8
18  23  8
19  24  8
19  25  8
21  26  8
22  24  8
23  25  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8
6  26  8
6  9  8
8  21  8
8  9  8

$$$$