General Information of the Compound
| Compound ID |
CP0572774
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| Compound Name |
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
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| Formula |
C28H25NO5
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| Molecular Weight |
455.51
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(o1)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C28H25NO5/c1-31-26-16-20-14-15-29(18-21(20)17-27(26)32-2)28(30)25-13-12-24(34-25)19-8-10-23(11-9-19)33-22-6-4-3-5-7-22/h3-13,16-17H,14-15,18H2,1-2H3
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| InChIKey |
VQQAPFUHHORQPP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound