
 CHEMBL495264

 71 74  0  0  0  0  0  0  0  0999 V2000
    1.8854   -1.0441   -0.1939 C   0  0  0  0  0
    3.2122   -0.4312    0.0166 N   0  0  0  0  0
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    9.9218    4.0005    4.5033 C   0  0  0  0  0
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   12.6815    3.8041    3.5083 F   0  0  0  0  0
   11.6845    5.7334    2.9119 F   0  0  0  0  0
   13.1957    5.7139    4.5737 F   0  0  0  0  0
    0.4274    2.5440    5.1682 Cl  0  0  0  0  0
    1.5043   -1.4856    0.7533 H   0  0  0  0  0
    1.9423   -1.8906   -0.9038 H   0  0  0  0  0
    1.1480   -0.2943   -0.5591 H   0  0  0  0  0
    4.7027    0.6284   -1.0066 H   0  0  0  0  0
    3.0259    1.0361   -1.5398 H   0  0  0  0  0
    2.9948   -1.2200   -2.6761 H   0  0  0  0  0
    4.6663   -1.5447   -2.0829 H   0  0  0  0  0
    3.7738    0.7533   -3.9996 H   0  0  0  0  0
    2.6955   -1.8461   -5.0463 H   0  0  0  0  0
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    5.7469   -3.4376   -7.6504 H   0  0  0  0  0
    7.4382   -1.9476   -6.5870 H   0  0  0  0  0
    8.7514   -0.3001   -5.2884 H   0  0  0  0  0
    9.6557    1.5027   -3.8282 H   0  0  0  0  0
    8.1534    2.6951   -2.2486 H   0  0  0  0  0
    5.7611    2.0982   -2.1074 H   0  0  0  0  0
    2.6776    0.0253    2.0259 H   0  0  0  0  0
    2.4212    1.3778    0.8607 H   0  0  0  0  0
    4.9088    1.7084    0.7548 H   0  0  0  0  0
    5.1377    0.2723    1.8496 H   0  0  0  0  0
    4.3788    3.7799    4.7510 H   0  0  0  0  0
    5.7407    4.6658    3.9929 H   0  0  0  0  0
    6.3242    3.9901    6.2661 H   0  0  0  0  0
    5.9812    2.2582    5.9081 H   0  0  0  0  0
    8.7872    1.8872    3.4266 H   0  0  0  0  0
    7.4146    1.0532    4.1746 H   0  0  0  0  0
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    6.8793    1.7635    1.8642 H   0  0  0  0  0
    8.1228    4.0176    7.4102 H   0  0  0  0  0
   10.0822    5.2583    8.1654 H   0  0  0  0  0
   11.9503    5.7198    6.6417 H   0  0  0  0  0
    9.8981    3.6824    3.4718 H   0  0  0  0  0
    1.0957    1.4661    4.6360 H   0  0  0  0  0
  1  2  1  0  0  0
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  2 18  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL495264

>  <PubChem CID>
44565007

>  <Formula>
C30H33ClF3N3O

>  <Molecular Weight>
544.059000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C30H32F3N3O.ClH/c1-34(15-13-28-26-11-4-2-9-24(26)25-10-3-5-12-27(25)28)16-14-29(37)36-19-17-35(18-20-36)23-8-6-7-22(21-23)30(31,32)33;/h2-12,21,28H,13-20H2,1H3;1H

>  <InChI Key>
IPCPRINKGMTFTB-UHFFFAOYSA-N

