
 CHEMBL246851

 59 63  0  0  0  0  0  0  0  0999 V2000
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    7.5467    5.4899   -0.4879 H   0  0  0  0  0
    8.6340    3.9910    1.9578 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL246851

>  <PubChem CID>
11247851

>  <Formula>
C27H26FNO4

>  <Molecular Weight>
447.506000

>  <IUPAC Name>
2-[[2-(4-fluorophenyl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C2C(=C(C=C1)CN3CCC4=CC(=C(C=C4C3)OC)OC)C=C(O2)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
COC1=C2C(=C(C=C1)CN3CCC4=CC(=C(C=C4C3)OC)OC)C=C(O2)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C27H26FNO4/c1-30-23-9-6-19(22-14-24(33-27(22)23)17-4-7-21(28)8-5-17)15-29-11-10-18-12-25(31-2)26(32-3)13-20(18)16-29/h4-9,12-14H,10-11,15-16H2,1-3H3

>  <InChI Key>
AEQWQMFTPTZZCH-UHFFFAOYSA-N

