55986403
  -OEChem-05072415182D

 54 57  0     1  0  0  0  0  0999 V2000
    2.0000   -1.3281    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -1.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    1.4087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.5838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3688    2.3592    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -1.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3473    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0796    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010    3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4118    1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7690    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    3.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0152    1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6365    3.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9937    2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3043    2.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    0.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.4855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -3.7222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7621    2.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479   -2.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.7081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4722    0.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    1.0453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1624    3.5176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2869    3.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2395    2.6895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6044    2.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1830   -0.2095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0192    2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5979   -0.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2439    3.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8226    1.2318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8291    4.3115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4077    1.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9110    3.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 33  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 40  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 11 34  1  0  0  0  0
 12 17  2  0  0  0  0
 12 35  1  0  0  0  0
 13 19  2  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 16 26  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 41  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  2  0  0  0  0
 27 51  1  0  0  0  0
 28 30  2  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55986403

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
559

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAQAAAADCjBngwywPLJkACoAyVyVACCgCAhAiAImaE4ZJgIIPLAlZGEIAhglADIyAccicCegACAAAACAAAAAQAAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H24FN3O/c1-16(18-6-4-3-5-7-18)27-20-9-11-21(12-10-20)29-25(30)15-22-17(2)28-24-13-8-19(26)14-23(22)24/h3-14,16,27-28H,15H2,1-2H3,(H,29,30)

> <PUBCHEM_IUPAC_INCHIKEY>
DCRLJVDZHAIEDB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
401.19034056

> <PUBCHEM_MOLECULAR_FORMULA>
C25H24FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
401.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=CC=C(C=C3)NC(C)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=CC=C(C=C3)NC(C)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
56.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
401.19034056

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
11  21  3
12  17  8
13  19  8
16  26  8
16  27  8
17  19  8
18  22  8
18  23  8
20  24  8
20  25  8
22  24  8
23  25  8
26  28  8
27  29  8
28  30  8
29  30  8
3  8  8
3  9  8
6  7  8
6  8  8
7  12  8
7  9  8
9  13  8

$$$$