69922110
  -OEChem-04242423592D

 62 65  0     0  0  0  0  0  0999 V2000
    8.9962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1913   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7703    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1503    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 48  1  0  0  0  0
  2 16  2  0  0  0  0
  3 17  1  0  0  0  0
  3 32  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 43  1  0  0  0  0
  6 15  2  0  0  0  0
  6 21  1  0  0  0  0
  7 20  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 20  2  0  0  0  0
 18 44  1  0  0  0  0
 19 24  1  0  0  0  0
 19 45  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  2  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  2  0  0  0  0
 24 47  1  0  0  0  0
 25 49  1  0  0  0  0
 26 30  1  0  0  0  0
 26 50  1  0  0  0  0
 27 31  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  2  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69922110

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
610

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQCAAADCzBngYz/vPIFgCoAyZifACCiCkhIiAJmKA/bJiOJuLE+duFNChs1hPY6CeQwIAOAAAAAAACEAAAAQAAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]-(2-methoxyphenyl)carbamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[4-[[4-(dimethylamino)-2-quinolinyl]amino]cyclohexyl]-(2-methoxyphenyl)carbamic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-(2-methoxyphenyl)carbamic acid

> <PUBCHEM_IUPAC_NAME>
[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-(2-methoxyphenyl)carbamic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-(2-methoxyphenyl)carbamic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]-(2-methoxyphenyl)carbamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H30N4O3/c1-28(2)22-16-24(27-20-9-5-4-8-19(20)22)26-17-12-14-18(15-13-17)29(25(30)31)21-10-6-7-11-23(21)32-3/h4-11,16-18H,12-15H2,1-3H3,(H,26,27)(H,30,31)

> <PUBCHEM_IUPAC_INCHIKEY>
MBEKIDIIVBUTFY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
434.23179083

> <PUBCHEM_MOLECULAR_FORMULA>
C25H30N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
434.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)N(C4=CC=CC=C4OC)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)N(C4=CC=CC=C4OC)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
77.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.23179083

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
14  17  8
14  19  8
15  18  8
17  23  8
18  20  8
19  24  8
20  22  8
21  22  8
21  26  8
22  27  8
23  25  8
24  25  8
26  30  8
27  31  8
30  31  8
6  15  8
6  21  8

$$$$