
 CHEMBL470500

 71 74  0  0  0  0  0  0  0  0999 V2000
    6.2096    2.1250    0.9478 C   0  0  0  0  0
    4.7791    1.8709    0.7020 N   0  0  0  0  0
    3.9661    3.0151    1.1778 C   0  0  0  0  0
    2.4526    2.7419    1.1114 C   0  0  0  0  0
    1.5739    3.8654    1.7138 C   0  0  0  0  0
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    4.4488    2.1074   -3.1769 C   0  0  0  0  0
    4.0226    0.9739   -3.3544 O   0  0  0  0  0
    4.6009    2.9569   -4.2522 N   0  0  0  0  0
    4.2183    2.5448   -5.6014 C   0  0  0  0  0
    3.1462    3.5131   -6.1248 C   0  0  0  0  0
    3.6387    4.8836   -5.9835 N   0  0  0  0  0
    4.0396    5.2843   -4.6347 C   0  0  0  0  0
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    2.8565    5.6392   -8.2213 C   0  0  0  0  0
    2.9024    6.5368   -9.2923 C   0  0  0  0  0
    3.8090    7.6070   -9.2857 C   0  0  0  0  0
    4.6712    7.7625   -8.1938 C   0  0  0  0  0
    4.6247    6.8738   -7.1160 C   0  0  0  0  0
    3.8680    8.5947  -10.4258 C   0  0  0  0  0
    3.6079    9.8653   -9.9448 F   0  0  0  0  0
    5.1305    8.5757  -10.9884 F   0  0  0  0  0
    2.9414    8.3014  -11.4114 F   0  0  0  0  0
    1.1613   -0.7894   -1.5891 Cl  0  0  0  0  0
    6.8247    1.2650    0.6099 H   0  0  0  0  0
    6.3911    2.2499    2.0373 H   0  0  0  0  0
    6.5538    3.0480    0.4332 H   0  0  0  0  0
    4.2315    3.9151    0.6004 H   0  0  0  0  0
    4.2145    3.2119    2.2451 H   0  0  0  0  0
    2.2590    1.8065    1.6810 H   0  0  0  0  0
    2.1352    2.5865    0.0588 H   0  0  0  0  0
    1.8261    4.0515    2.7799 H   0  0  0  0  0
   -0.0303    1.6924    2.7450 H   0  0  0  0  0
   -2.4612    1.3917    2.2814 H   0  0  0  0  0
   -3.6714    3.0267    0.8494 H   0  0  0  0  0
   -2.4570    4.9748   -0.1214 H   0  0  0  0  0
   -0.8731    6.7455   -0.8498 H   0  0  0  0  0
    1.0125    8.3184   -1.2719 H   0  0  0  0  0
    3.2430    7.8862   -0.2635 H   0  0  0  0  0
    3.6091    5.8887    1.1492 H   0  0  0  0  0
    5.1652    0.5709   -0.9368 H   0  0  0  0  0
    3.4826    1.0826   -0.7859 H   0  0  0  0  0
    5.8428    2.8493   -1.7223 H   0  0  0  0  0
    4.1275    3.4229   -1.5421 H   0  0  0  0  0
    3.8252    1.5067   -5.6498 H   0  0  0  0  0
    5.1125    2.5966   -6.2599 H   0  0  0  0  0
    2.9169    3.2269   -7.1684 H   0  0  0  0  0
    2.2249    3.3959   -5.5137 H   0  0  0  0  0
    4.3899    6.3293   -4.5588 H   0  0  0  0  0
    3.1529    5.2088   -3.9676 H   0  0  0  0  0
    6.0273    4.4291   -4.7354 H   0  0  0  0  0
    5.3746    4.6082   -3.0827 H   0  0  0  0  0
    2.1231    4.8492   -8.2645 H   0  0  0  0  0
    2.2210    6.3949  -10.1209 H   0  0  0  0  0
    5.3818    8.5803   -8.1757 H   0  0  0  0  0
    5.3199    7.0340   -6.3071 H   0  0  0  0  0
    1.1900   -1.0010   -2.9483 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2 18  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
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  3 43  1  0  0  0
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 38 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL470500

>  <PubChem CID>
44564951

>  <Formula>
C30H33ClF3N3O

>  <Molecular Weight>
544.059000

>  <IUPAC Name>
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]-1-[4-[4-(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=C(C=C5)C(F)(F)F.Cl

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

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

>  <InChI Key>
IZPGXEFOALADKE-UHFFFAOYSA-N

