10276395
  -OEChem-05102418302D

 53 56  0     0  0  0  0  0  0999 V2000
    9.7942    0.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4221   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9221   -2.4260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385    0.1108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385   -1.4987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9221   -0.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9221   -0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4221   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9221   -2.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5311    0.7001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233   -1.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2321   -0.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3852   -2.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2321   -2.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4591   -2.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 32  1  0  0  0  0
  2 34  1  0  0  0  0
  3 26  2  0  0  0  0
  4 32  2  0  0  0  0
  5 33  1  0  0  0  0
  5 53  1  0  0  0  0
  6 33  2  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  7 36  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  2  0  0  0  0
  9 17  1  0  0  0  0
  9 32  1  0  0  0  0
  9 43  1  0  0  0  0
 10 20  1  0  0  0  0
 10 26  1  0  0  0  0
 10 44  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  1  0  0  0  0
 25 29  2  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 30  1  0  0  0  0
 28 33  1  0  0  0  0
 29 31  1  0  0  0  0
 29 47  1  0  0  0  0
 30 31  2  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 34 50  1  0  0  0  0
 34 51  1  0  0  0  0
 34 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10276395

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
731

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADAyBngIz3rbJlgCoAyTyfACCiC2lMqAJmSE2fNmMbrLEvZuWeSju1RtI+ae82COOAEAAQgAAACAAgACEAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
3-[[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]anilino]-oxomethyl]amino]benzoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[[4-[[2-(methoxycarbonylamino)-3<I>H</I>-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid

> <PUBCHEM_IUPAC_NAME>
3-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[[4-[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H19N5O6/c1-33-23(32)28-21-26-18-10-9-17(12-19(18)27-21)34-16-7-5-14(6-8-16)24-22(31)25-15-4-2-3-13(11-15)20(29)30/h2-12H,1H3,(H,29,30)(H2,24,25,31)(H2,26,27,28,32)

> <PUBCHEM_IUPAC_INCHIKEY>
GUDLICATRRESCW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.1

> <PUBCHEM_EXACT_MASS>
461.13353334

> <PUBCHEM_MOLECULAR_FORMULA>
C23H19N5O6

> <PUBCHEM_MOLECULAR_WEIGHT>
461.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
155

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
461.13353334

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
12  13  8
12  14  8
13  16  8
14  15  8
15  18  8
16  18  8
19  21  8
19  22  8
20  23  8
20  24  8
21  23  8
22  24  8
25  27  8
25  29  8
27  28  8
28  30  8
29  31  8
30  31  8
7  12  8
7  17  8
8  13  8
8  17  8

$$$$