9801743
  -OEChem-05102419172D

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    2.0000   -5.4547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.4547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    5.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    4.3817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    3.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    5.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -5.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9739    5.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    3.0321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -6.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  2  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 34  1  0  0  0  0
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  5 19  1  0  0  0  0
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  6 20  1  0  0  0  0
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  7 17  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
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 22 23  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
9801743

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
421

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIQAAAADArBHiQ90JbJkACoAzRndACCgC2xF6AJ2YA4doiIaCLBm5GUIAholgJIyCcQgMAOQAAAAAKAAACAAAAABQAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(3,5-dichlorophenyl)-3-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-(3,5-dichlorophenyl)-3-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(3,5-dichlorophenyl)-3-[[4-(1<I>H</I>-imidazol-5-ylmethyl)phenyl]methyl]urea

> <PUBCHEM_IUPAC_NAME>
1-(3,5-dichlorophenyl)-3-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[3,5-bis(chloranyl)phenyl]-3-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(3,5-dichlorophenyl)-3-[4-(1H-imidazol-5-ylmethyl)benzyl]urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)

> <PUBCHEM_IUPAC_INCHIKEY>
CXNCQFJNXQAFND-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
374.0701165

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16Cl2N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
375.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1CC2=CN=CN2)CNC(=O)NC3=CC(=CC(=C3)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1CC2=CN=CN2)CNC(=O)NC3=CC(=CC(=C3)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
69.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
374.0701165

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
10  15  8
10  16  8
12  15  8
13  16  8
14  17  8
20  21  8
20  22  8
21  24  8
22  23  8
23  25  8
24  25  8
5  14  8
5  19  8
7  17  8
7  19  8
8  12  8
8  13  8

$$$$