
 CHEMBL472751

 68 71  0  0  0  0  0  0  0  0999 V2000
    1.5129   -1.5514   -1.0939 C   0  0  0  0  0
    1.9055   -0.1490   -0.8792 N   0  0  0  0  0
    3.3160    0.1035   -1.2708 C   0  0  0  0  0
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    6.3848    3.3316    0.6112 C   0  0  0  0  0
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    6.8286   -0.2279   -4.8901 C   0  0  0  0  0
    6.4206   -1.4581   -4.3347 C   0  0  0  0  0
    6.0802   -1.5435   -2.9740 C   0  0  0  0  0
    6.1520   -0.3899   -2.1913 C   0  0  0  0  0
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    1.7671    1.8041    0.6880 C   0  0  0  0  0
    1.4003    2.3079    2.0688 C   0  0  0  0  0
    0.9859    1.5082    2.8982 O   0  0  0  0  0
    1.5437    3.6351    2.4065 N   0  0  0  0  0
    1.2510    4.1092    3.7579 C   0  0  0  0  0
    2.5061    4.7847    4.3330 C   0  0  0  0  0
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    3.2694    5.2989    2.0324 C   0  0  0  0  0
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    2.9498    9.5416    3.0539 C   0  0  0  0  0
    3.1918    9.9305    4.3785 C   0  0  0  0  0
    3.3633    8.9581    5.3651 C   0  0  0  0  0
    3.2899    7.6006    5.0429 C   0  0  0  0  0
    3.2796   11.6295    4.8238 Cl  0  0  0  0  0
    2.7123   10.7395    1.7876 Cl  0  0  0  0  0
   -3.2040    1.6138   -6.7529 Cl  0  0  0  0  0
    0.4133   -1.6596   -0.9772 H   0  0  0  0  0
    2.0091   -2.2285   -0.3661 H   0  0  0  0  0
    1.7649   -1.8733   -2.1272 H   0  0  0  0  0
    3.5039    1.1941   -1.2839 H   0  0  0  0  0
    3.4576   -0.2139   -2.3266 H   0  0  0  0  0
    4.2407   -1.7091   -0.4900 H   0  0  0  0  0
    4.2140   -0.3546    0.6883 H   0  0  0  0  0
    6.5127   -0.8621   -0.0964 H   0  0  0  0  0
    5.7245    1.5069    1.5715 H   0  0  0  0  0
    6.3300    3.9245    1.5144 H   0  0  0  0  0
    7.0634    4.9791   -0.6141 H   0  0  0  0  0
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    7.0897   -0.1696   -5.9386 H   0  0  0  0  0
    6.3687   -2.3404   -4.9589 H   0  0  0  0  0
    5.7641   -2.4844   -2.5431 H   0  0  0  0  0
    2.0932   -0.2868    1.2549 H   0  0  0  0  0
    0.4551    0.1018    0.6490 H   0  0  0  0  0
    2.8424    2.0370    0.5613 H   0  0  0  0  0
    1.1628    2.3423   -0.0741 H   0  0  0  0  0
    0.4337    4.8612    3.7012 H   0  0  0  0  0
    0.9187    3.3027    4.4458 H   0  0  0  0  0
    2.2374    5.2043    5.3208 H   0  0  0  0  0
    3.3056    4.0254    4.4779 H   0  0  0  0  0
    3.6486    6.0795    1.3466 H   0  0  0  0  0
    4.0740    4.5368    2.1069 H   0  0  0  0  0
    1.2325    5.4165    1.3265 H   0  0  0  0  0
    2.2586    4.2483    0.4502 H   0  0  0  0  0
    2.6751    7.9234    1.6981 H   0  0  0  0  0
    3.5549    9.2546    6.3885 H   0  0  0  0  0
    3.4438    6.8841    5.8356 H   0  0  0  0  0
   -3.6959    0.7918   -5.7656 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 38  1  0  0  0
  1 39  1  0  0  0
  2 18  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
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  4  5  1  0  0  0
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 36 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL472751

>  <PubChem CID>
44564906

>  <Formula>
C29H32Cl3N3O

>  <Molecular Weight>
544.945000

>  <IUPAC Name>
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propan-1-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CCC1C2=CC=CC=C2C3=CC=CC=C13)CCC(=O)N4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl.Cl

>  <Isomeric SMILES>
CN(CCC1C2=CC=CC=C2C3=CC=CC=C13)CCC(=O)N4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C29H31Cl2N3O.ClH/c1-32(14-12-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26)15-13-29(35)34-18-16-33(17-19-34)21-10-11-27(30)28(31)20-21;/h2-11,20,26H,12-19H2,1H3;1H

>  <InChI Key>
GZAXZRZNQTVQBX-UHFFFAOYSA-N

