69923632
  -OEChem-04252411202D

 65 68  0     0  0  0  0  0  0999 V2000
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   11.1957    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
69923632

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
556

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7oQAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHwAQAAAADSzBng4z9vPIFACgAyZiZACCiCkhIiAJmKA+bJiMJuLE+duENChs0BPI6CewwJAOAAABAAACAAAQAAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N2-[4-[[(2-fluoro-5-methoxy-phenyl)methylamino]methyl]cyclohexyl]-N4,N4-dimethyl-quinoline-2,4-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
N2-[4-[[(2-fluoro-5-methoxyphenyl)methylamino]methyl]cyclohexyl]-N4,N4-dimethylquinoline-2,4-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-<I>N</I>-[4-[[(2-fluoro-5-methoxyphenyl)methylamino]methyl]cyclohexyl]-4-<I>N</I>,4-<I>N</I>-dimethylquinoline-2,4-diamine

> <PUBCHEM_IUPAC_NAME>
2-N-[4-[[(2-fluoro-5-methoxyphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinoline-2,4-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N2-[4-[[(2-fluoranyl-5-methoxy-phenyl)methylamino]methyl]cyclohexyl]-N4,N4-dimethyl-quinoline-2,4-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-[[4-[[(2-fluoro-5-methoxy-benzyl)amino]methyl]cyclohexyl]amino]-4-quinolyl]-dimethyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H33FN4O/c1-31(2)25-15-26(30-24-7-5-4-6-22(24)25)29-20-10-8-18(9-11-20)16-28-17-19-14-21(32-3)12-13-23(19)27/h4-7,12-15,18,20,28H,8-11,16-17H2,1-3H3,(H,29,30)

> <PUBCHEM_IUPAC_INCHIKEY>
SIFXRLHMZVZFHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
436.26383985

> <PUBCHEM_MOLECULAR_FORMULA>
C26H33FN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
436.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)CNCC4=C(C=CC(=C4)OC)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)CNCC4=C(C=CC(=C4)OC)F

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
436.26383985

> <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  16  8
16  18  8
17  21  8
17  22  8
18  20  8
19  20  8
19  23  8
20  24  8
21  25  8
22  26  8
23  29  8
24  30  8
25  31  8
26  31  8
29  30  8
5  14  8
5  19  8

$$$$