6487242
  -OEChem-05042419442D

 53 57  0     0  0  0  0  0  0999 V2000
    4.3907    0.0239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1605   -3.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    3.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016    1.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176   -2.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8688    0.6820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839    1.8035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8068   -3.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1175   -4.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4747   -2.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0960   -4.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4532   -2.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7638   -3.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283   -3.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1013   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176   -0.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8394   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8394   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0598   -0.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    0.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4894    1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    2.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    4.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6142   -2.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5037   -4.3118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0969   -4.8442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7059   -1.9544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9483   -2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8647   -5.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6223   -4.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0670   -2.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4737   -2.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1464   -4.1743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3107   -3.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5621   -1.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5621   -0.8978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0550   -0.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2666    0.0591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054   -2.9325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054    0.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024   -2.1225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9309   -1.3257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.3051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993    3.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424    5.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 14  2  0  0  0  0
  3 27  1  0  0  0  0
  3 30  1  0  0  0  0
  4 26  2  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 23  1  0  0  0  0
  6 25  2  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  2  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 24 49  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6487242

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
641

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWLEgAAwYAAAAAAAAFgB8AAAHgQQAAAADQzl3gax1ZPIFEisA61y9AKC+KllKjkJiDX+bNiOJrLkvb+HOSjsxxPY6aeYn8KOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[1-(cyclohexanecarbonyl)indolin-5-yl]thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[1-[cyclohexyl(oxo)methyl]-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(1-cyclohexylcarbonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[1-(cyclohexanecarbonyl)indolin-5-yl]thiazol-2-yl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H23N3O3S/c27-21(20-7-4-12-29-20)25-23-24-18(14-30-23)16-8-9-19-17(13-16)10-11-26(19)22(28)15-5-2-1-3-6-15/h4,7-9,12-15H,1-3,5-6,10-11H2,(H,24,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
UKLCPBGGTODAPV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
421.14601278

> <PUBCHEM_MOLECULAR_FORMULA>
C23H23N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
421.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)NC(=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)C(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)NC(=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
104

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
421.14601278

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
1  24  8
1  25  8
16  18  8
16  19  8
18  20  8
19  22  8
20  21  8
21  22  8
23  24  8
27  28  8
28  29  8
29  30  8
3  27  8
3  30  8
6  23  8
6  25  8

$$$$