
 CHEMBL160907

 59 62  0  0  0  0  0  0  0  0999 V2000
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    2.2865   -1.3908    3.2914 H   0  0  0  0  0
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  1  6  1  0  0  0
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  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL160907

>  <PubChem CID>
10622347

>  <Formula>
C25H28F2N2O2

>  <Molecular Weight>
426.508000

>  <IUPAC Name>
5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCC3CC4=C(C3=O)C=CC(=C4)F

>  <Isomeric SMILES>
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCC3CC4=C(C3=O)C=CC(=C4)F

>  <InChI Std. ID>
InChI=1S/C25H28F2N2O2/c26-21-5-3-18(4-6-21)24(30)2-1-10-28-12-14-29(15-13-28)11-9-19-16-20-17-22(27)7-8-23(20)25(19)31/h3-8,17,19H,1-2,9-16H2

>  <InChI Key>
FFJCVBWFDDSTLZ-UHFFFAOYSA-N

