
 CHEMBL226124

 84 88  0  0  0  0  0  0  0  0999 V2000
    5.1837    5.1364    2.8536 C   0  0  0  0  0
    6.1137    4.4104    1.8715 C   0  0  0  0  0
    5.4128    3.1357    1.3739 C   0  0  0  0  0
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    8.0341    5.4556   -1.3319 C   0  0  0  0  0
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    5.8872    1.6808   -5.1279 H   0  0  0  0  0
    7.7223    0.6326   -3.8790 H   0  0  0  0  0
    7.5051    1.6943   -2.5284 H   0  0  0  0  0
    4.1155    0.2257   -1.7220 H   0  0  0  0  0
    5.2032    1.4686   -1.1881 H   0  0  0  0  0
    3.7394    1.3877   -3.8813 H   0  0  0  0  0
    3.3797    2.4477   -2.5441 H   0  0  0  0  0
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    4.7848   -1.4254   -3.0200 H   0  0  0  0  0
    7.1678   -2.1865   -2.7130 H   0  0  0  0  0
    7.5640   -1.4880   -4.2812 H   0  0  0  0  0
    5.8928   -2.8894   -5.4079 H   0  0  0  0  0
    5.3164   -3.5344   -3.9188 H   0  0  0  0  0
    8.8839   -6.8500   -2.9525 H   0  0  0  0  0
    9.6037   -5.2266   -6.8237 H   0  0  0  0  0
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    7.7914   -5.4706    1.2038 H   0  0  0  0  0
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    2.1005    7.0084   -4.4683 H   0  0  0  0  0
    3.4844    5.6352   -2.9677 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL226124

>  <PubChem CID>
44423455

>  <Formula>
C34H44F2N4

>  <Molecular Weight>
546.751000

>  <IUPAC Name>
1-[1-(4-fluorophenyl)-2-[4-[3-(4-fluoro-2-phenylphenyl)propyl]piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)N1CCN(CC1)C(CN2CCN(CC2)CCCC3=C(C=C(C=C3)F)C4=CC=CC=C4)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
CC(C)N1CCN(CC1)C(CN2CCN(CC2)CCCC3=C(C=C(C=C3)F)C4=CC=CC=C4)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C34H44F2N4/c1-27(2)39-21-23-40(24-22-39)34(30-11-13-31(35)14-12-30)26-38-19-17-37(18-20-38)16-6-9-29-10-15-32(36)25-33(29)28-7-4-3-5-8-28/h3-5,7-8,10-15,25,27,34H,6,9,16-24,26H2,1-2H3

>  <InChI Key>
DRSLEYLXVNRDKA-UHFFFAOYSA-N

