540335
  -OEChem-10101305032D

 52 56  0     0  0  0  0  0  0999 V2000
    8.1301    1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181    3.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5196    2.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    1.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    3.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    3.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382    2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182    3.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 44  1  0  0  0  0
  4 19  2  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 14  1  0  0  0  0
 11 40  1  0  0  0  0
 12 15  2  0  0  0  0
 12 41  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 21 45  1  0  0  0  0
 22 26  1  0  0  0  0
 22 46  1  0  0  0  0
 23 27  2  0  0  0  0
 23 47  1  0  0  0  0
 24 28  1  0  0  0  0
 24 48  1  0  0  0  0
 25 27  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
540335

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_MOLECULAR_WEIGHT>
368.47416

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.200097

> <PUBCHEM_EXACT_MASS>
368.200097

> <PUBCHEM_MOLECULAR_FORMULA>
C24H24N4

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
QZKGUNQLVFEEBA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53

> <PUBCHEM_IUPAC_NAME>
N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(4-methyl-1-piperazinyl)phenyl]-9-acridinamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acridin-9-yl-[4-(4-methylpiperazino)phenyl]amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_COMPLEXITY>
473

> <PUBCHEM_CACTVS_TPSA>
31.4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACx/AAAHAAQAAAADAjBHgQywPPIEACgAyRiRACCgCAhAiAImCA4ZJgIYOLA0dGUJAhgkADIyAcQgMAOAACAAAACAAAAAQAAAAQAAAAAAAAAAA==

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
12  15  8
13  14  8
13  15  8
16  17  8
16  18  8
17  19  8
17  21  8
18  20  8
18  22  8
19  23  8
20  24  8
21  25  8
22  26  8
23  27  8
24  28  8
25  27  8
26  28  8
4  19  8
4  20  8
9  11  8
9  12  8

$$$$