60406119
  -OEChem-04232422072D

 39 42  0     0  0  0  0  0  0999 V2000
    2.0000    0.1340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7115    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7115    0.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6577    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6577    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5238    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5238   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3898    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3898    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2356    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5453    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202   -0.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2105   -0.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5189    2.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    0.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5238    2.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5238   -0.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9267    1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9267    0.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 16  2  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 29  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 31  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 32  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 30  1  0  0  0  0
 17 21  2  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60406119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
462

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oQAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/gAAHwAQAAAADAjBnwwx0PbJkACoAydydACCgC2nEqAJmaG4dNiIaPLA3bGUIQholgLIyacYiYCeAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-fluoro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-fluoro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(1<I>H</I>-benzimidazol-2-yl)ethyl]-5-fluoro-1<I>H</I>-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-fluoro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-fluoranyl-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-fluoro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H15FN4O/c19-12-5-6-13-11(9-12)10-16(21-13)18(24)20-8-7-17-22-14-3-1-2-4-15(14)23-17/h1-6,9-10,21H,7-8H2,(H,20,24)(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
MCRCCQRMSWDNKM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
322.12298928

> <PUBCHEM_MOLECULAR_FORMULA>
C18H15FN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
322.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC4=C(N3)C=CC(=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC4=C(N3)C=CC(=C4)F

> <PUBCHEM_CACTVS_TPSA>
73.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
322.12298928

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  15  8
11  12  8
11  15  8
11  17  8
12  18  8
13  14  8
13  19  8
14  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  22  8
23  24  8
3  13  8
3  9  8
4  10  8
4  12  8
6  14  8
6  9  8

$$$$