24881406
  -OEChem-04262412122D

 62 64  0     1  0  0  0  0  0999 V2000
   11.9078    7.3339    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.7487    6.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    4.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    4.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    3.2513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.3365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7432    5.9249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1500    5.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310    6.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8712    3.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3255    6.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9243    7.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9133    7.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5121    8.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5066    8.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.7539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.4442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -4.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.7288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -4.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -4.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.9442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -6.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -5.7288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3788    5.4233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5806    4.5654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6640    5.3581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.0265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4608    3.0597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.4735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.4735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5777    6.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3077    7.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.1465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4965    6.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2599    9.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -7.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8710    8.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.4565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 18  1  0  0  0  0
  2 58  1  0  0  0  0
  3 17  2  0  0  0  0
  4 22  2  0  0  0  0
  5 10  1  0  0  0  0
  5 62  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 25  1  0  0  0  0
  7 17  1  0  0  0  0
  7 21  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  2  0  0  0  0
  9 24  1  0  0  0  0
 10 22  1  0  0  0  0
 10 60  1  0  0  0  0
 11 12  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
 16 22  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 29  2  0  0  0  0
 20 30  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 31  1  0  0  0  0
 27 53  1  0  0  0  0
 28 31  2  0  0  0  0
 28 54  1  0  0  0  0
 29 32  1  0  0  0  0
 29 55  1  0  0  0  0
 30 33  2  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
 33 59  1  0  0  0  0
 34 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24881406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
643

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAEAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgBcCAABrBzhngY8wJLYAgCqAzV3VACCBAQxkgQ42CE4fLgKdrLAkZGUcAhk1AHY2heYyKCOAAAAUAAAAAAAAACgAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-[1-[2-(3-bromophenyl)-2-hydroxy-ethyl]triazol-4-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-[1-[2-(3-bromophenyl)-2-hydroxyethyl]-4-triazolyl]phenyl]-N'-hydroxyoctanediamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-[1-[2-(3-bromophenyl)-2-hydroxyethyl]triazol-4-yl]phenyl]-<I>N</I>&apos;-hydroxyoctanediamide

> <PUBCHEM_IUPAC_NAME>
N-[3-[1-[2-(3-bromophenyl)-2-hydroxyethyl]triazol-4-yl]phenyl]-N'-hydroxyoctanediamide

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-[1-[2-(3-bromophenyl)-2-hydroxy-ethyl]triazol-4-yl]phenyl]-8-(hydroxyamino)-8-keto-caprylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-15-21(27-29-30)17-7-6-10-20(14-17)26-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,26,32)(H,28,33)

> <PUBCHEM_IUPAC_INCHIKEY>
MEUDKJKEPABUEC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
529.13247

> <PUBCHEM_MOLECULAR_FORMULA>
C24H28BrN5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
530.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)NC(=O)CCCCCCC(=O)NO)C2=CN(N=N2)CC(C3=CC(=CC=C3)Br)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)NC(=O)CCCCCCC(=O)NO)C2=CN(N=N2)CC(C3=CC(=CC=C3)Br)O

> <PUBCHEM_CACTVS_TPSA>
129

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
529.13247

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  2  3
20  29  8
20  30  8
21  26  8
21  27  8
23  26  8
23  28  8
24  25  8
27  31  8
28  31  8
29  32  8
30  33  8
32  34  8
33  34  8
6  25  8
6  8  8
8  9  8
9  24  8

$$$$