69925015
  -OEChem-04192417062D

 65 68  0     0  0  0  0  0  0999 V2000
   11.5942   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2607    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4637    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0573    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0163   -1.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6363   -0.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 51  1  0  0  0  0
  2 17  2  0  0  0  0
  3 20  1  0  0  0  0
  3 33  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 46  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 15  2  0  0  0  0
  6 22  1  0  0  0  0
  7 19  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  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 13  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 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 24 49  1  0  0  0  0
 25 28  2  0  0  0  0
 25 50  1  0  0  0  0
 26 31  1  0  0  0  0
 26 52  1  0  0  0  0
 27 32  1  0  0  0  0
 27 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 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 32  2  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69925015

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
625

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQCAAADSzBngYz/vPIFgCoAyZifACCiCkhIiAJmKA/bJiOJuLE+duFNChs1hPY6CeQwIAOAAAAAAACEAAQAAAAAAQgAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H32N4O3/c1-29(2)23-16-25(28-21-9-5-4-8-20(21)23)27-19-14-12-18(13-15-19)17-30(26(31)32)22-10-6-7-11-24(22)33-3/h4-11,16,18-19H,12-15,17H2,1-3H3,(H,27,28)(H,31,32)

> <PUBCHEM_IUPAC_INCHIKEY>
PRPROCHYVCRIMD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
448.24744090

> <PUBCHEM_MOLECULAR_FORMULA>
C26H32N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
448.6

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

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

> <PUBCHEM_CACTVS_TPSA>
77.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
448.24744090

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
15  18  8
16  20  8
16  21  8
18  19  8
19  23  8
20  24  8
21  25  8
22  23  8
22  26  8
23  27  8
24  28  8
25  28  8
26  31  8
27  32  8
31  32  8
6  15  8
6  22  8

$$$$