56297283
  -OEChem-04262409462D

 54 57  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5972    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -1.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    1.1397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.3148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3688    2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3473    2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    3.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0116    3.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    3.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0796    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4118    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7690   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7829    1.6287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3679    1.6768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9611    2.2091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1540    3.1265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3184    2.3466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2049    2.9549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0405    3.7348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9911    4.4047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3978    3.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5165    4.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7589    4.5665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4722    0.6782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6044    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1830   -0.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344   -0.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.7546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0192    1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5979   -0.8126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -3.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    0.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479   -2.5972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.9772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 23  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 40  1  0  0  0  0
  4 17  1  0  0  0  0
  4 22  1  0  0  0  0
  4 47  1  0  0  0  0
  5 18  1  0  0  0  0
  5 23  1  0  0  0  0
  5 48  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 41  1  0  0  0  0
 14 21  2  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 22  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  2  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56297283

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAQAAAADCjBngwywPLJkACoAyVyVACCgCAhAiAImaE4ZJgIIPLAlZGEIAhglADIyAccicCegACAAAACAAAAAQAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1<I>H</I>-indol-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(cyclohexylamino)phenyl]-2-(5-fluoranyl-2-methyl-1H-indol-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26FN3O/c1-15-20(21-13-16(24)7-12-22(21)25-15)14-23(28)27-19-10-8-18(9-11-19)26-17-5-3-2-4-6-17/h7-13,17,25-26H,2-6,14H2,1H3,(H,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
QUBBWKKGHDZHHR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
379.20599062

> <PUBCHEM_MOLECULAR_FORMULA>
C23H26FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
379.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=CC=C(C=C3)NC4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=CC=C(C=C3)NC4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
56.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.20599062

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  20  8
14  21  8
15  16  8
15  17  8
16  22  8
16  24  8
18  20  8
18  21  8
22  26  8
24  27  8
26  28  8
27  28  8
4  17  8
4  22  8

$$$$