
 CHEMBL473763

 68 71  0  0  0  0  0  0  0  0999 V2000
    2.4773    0.0033    0.8608 C   0  0  0  0  0
    3.0025    0.2193   -0.5040 N   0  0  0  0  0
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    9.1069    3.2389   -6.9502 C   0  0  0  0  0
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    8.8584    2.5948   -4.6288 C   0  0  0  0  0
    9.8923    3.4061   -8.0430 F   0  0  0  0  0
    7.2065    3.9834   -8.1754 F   0  0  0  0  0
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    2.6867    0.8692    1.5164 H   0  0  0  0  0
    3.0052   -0.8286    1.3642 H   0  0  0  0  0
    1.3838   -0.1996    0.8468 H   0  0  0  0  0
    3.1450   -0.7469   -2.3901 H   0  0  0  0  0
    1.6490   -1.1347   -1.4688 H   0  0  0  0  0
    3.0245   -2.5580    0.0972 H   0  0  0  0  0
    4.5217   -2.0729   -0.7749 H   0  0  0  0  0
    3.7221   -4.3664   -1.3737 H   0  0  0  0  0
    5.8391   -2.8725   -2.8975 H   0  0  0  0  0
    6.3293   -2.5983   -5.3274 H   0  0  0  0  0
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    2.1843   -3.3587   -6.2595 H   0  0  0  0  0
    0.0470   -3.8997   -5.0612 H   0  0  0  0  0
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    0.9583   -4.1332   -0.1608 H   0  0  0  0  0
    1.2670    1.2926   -1.1510 H   0  0  0  0  0
    2.6922    1.4580   -2.1926 H   0  0  0  0  0
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    2.1831    3.5956   -0.9620 H   0  0  0  0  0
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    3.3617    3.3425   -2.8765 H   0  0  0  0  0
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   10.7181    2.5462   -5.7105 H   0  0  0  0  0
    9.3328    2.2095   -3.7410 H   0  0  0  0  0
   -0.3096    1.4032   -6.8386 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
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  3 40  1  0  0  0
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 36 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL473763

>  <PubChem CID>
44564950

>  <Formula>
C29H32ClF2N3O

>  <Molecular Weight>
512.042000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C29H31F2N3O.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>
MJIOKZJYJYOUKX-UHFFFAOYSA-N

