1442508
  -OEChem-05122419302D

 54 58  0     0  0  0  0  0  0999 V2000
   11.3497   -1.2882    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.2312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    2.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854    2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3497   -2.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3007   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3007   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285    0.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1787    1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0143    2.7068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162    0.7345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5738    0.4869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4903    3.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    3.5385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922    1.3186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9648    3.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3716    2.8443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    0.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -2.6341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -2.6341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    0.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -0.6942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1581   -3.4959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8023   -2.9616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8023   -1.2328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 30  1  0  0  0  0
  2 26  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 42  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  2  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  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 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 17 43  1  0  0  0  0
 18 22  2  0  0  0  0
 18 44  1  0  0  0  0
 19 22  1  0  0  0  0
 19 45  1  0  0  0  0
 20 23  1  0  0  0  0
 20 46  1  0  0  0  0
 21 24  2  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  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 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1442508

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
576

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oABAAAAAAAAAAAAAAAAAAWJAAAA8YIAAAAAAAFgB/AAAHgQQAAAADCjF3wS98Z/MGAisAzd3dACDgK01GrBJ2Lk4dNiIaPLgnZGUIQholALoyacYgIAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl]-2-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H24N4OS/c29-24(20-9-6-16-30-20)26-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)28-15-5-4-10-21(28)27-22/h4-6,9-16,18,25H,1-3,7-8H2,(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
NINQBDFAFZBRJS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.4

> <PUBCHEM_EXACT_MASS>
416.16708258

> <PUBCHEM_MOLECULAR_FORMULA>
C24H24N4OS

> <PUBCHEM_MOLECULAR_WEIGHT>
416.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC=CS5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC=CS5

> <PUBCHEM_CACTVS_TPSA>
86.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
416.16708258

> <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  27  8
1  30  8
13  14  8
15  18  8
16  20  8
16  21  8
17  19  8
18  22  8
19  22  8
20  23  8
21  24  8
23  25  8
24  25  8
27  28  8
28  29  8
29  30  8
4  13  8
4  15  8
4  17  8
5  14  8
5  15  8

$$$$