24818575
  -OEChem-05092400522D

 48 51  0     0  0  0  0  0  0999 V2000
    7.5673   -5.5830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    4.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    3.9175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.4472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.3978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -3.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -4.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -4.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -2.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -3.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    2.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    3.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    4.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    4.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -3.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -3.8891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.5142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    0.7025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640   -4.8877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -2.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -2.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311   -4.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.8592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598    2.2993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928    3.1710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812    5.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7349    5.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0276    4.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 25  2  0  0  0  0
  3 28  1  0  0  0  0
  3 47  1  0  0  0  0
  4 29  1  0  0  0  0
  4 48  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  2  3  0  0  0
  7 25  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
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 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
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 19 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
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 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 29  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24818575

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
609

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAYCAAADAzBngw8xvNuEgCoAzV3VACSgCA1IiAa2CE+bNgIJ/LClZOEcQhlyBXI2Ye66NSOgAABCAACAAAAAAIQAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyleneamino]-3,5-dihydroxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[1-[(3-fluorophenyl)methyl]-3-indolyl]methylideneamino]-3,5-dihydroxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-dihydroxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-dihydroxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-bis(oxidanyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[1-(3-fluorobenzyl)indol-3-yl]methyleneamino]-3,5-dihydroxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)

> <PUBCHEM_IUPAC_INCHIKEY>
WVVKNKDBZMZCCR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
403.13321961

> <PUBCHEM_MOLECULAR_FORMULA>
C23H18FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
403.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C=NNC(=O)C4=CC(=CC(=C4)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C=NNC(=O)C4=CC(=CC(=C4)O)O

> <PUBCHEM_CACTVS_TPSA>
86.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.13321961

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
13  19  8
13  20  8
14  16  8
15  17  8
16  17  8
19  21  8
20  22  8
21  23  8
22  23  8
24  26  8
24  27  8
26  29  8
27  28  8
28  30  8
29  30  8
5  12  8
5  8  8
6  18  1
8  14  8
8  9  8
9  11  8
9  15  8

$$$$