56096974
  -OEChem-05072422552D

 46 49  0     0  0  0  0  0  0999 V2000
    7.2978    4.2131    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8191    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -1.6019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3288   -0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1011    0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074   -0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9164    1.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    1.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4545    2.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7597    2.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5040    3.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7222   -0.8072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4567   -1.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7078    0.6332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9733    1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4352   -1.0798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9140   -0.3453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    0.5544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500    1.7529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044    1.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344   -0.4442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.9765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9160    3.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1704    2.7594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -3.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479   -2.8191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.1991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.6291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 25  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 33  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  2  0  0  0  0
 16 19  2  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56096974

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IYAAAAAAAAAAAAAAAABgAWAAAAAwYAAAAAAAAFgB9AAAHwAQAAAADIiBnggywPLJkACoAyVyVACCgCAhAiAImSEwZJgIIPLAlZGEIAhglADIyAccicCegAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H20F2N2O/c1-13-17(18-11-16(23)7-8-19(18)24-13)12-20(26)25-21(9-2-10-21)14-3-5-15(22)6-4-14/h3-8,11,24H,2,9-10,12H2,1H3,(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
MUGNFNNYDSCPEI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
354.15436959

> <PUBCHEM_MOLECULAR_FORMULA>
C21H20F2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
354.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3(CCC3)C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3(CCC3)C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
44.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
354.15436959

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  12  8
10  13  8
12  16  8
13  17  8
15  18  8
15  20  8
16  19  8
17  19  8
18  21  8
18  22  8
21  24  8
22  25  8
24  26  8
25  26  8
5  20  8
5  21  8

$$$$