General Information of the Compound
| Compound ID |
CP0572773
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| Compound Name |
[5-(4-butoxyphenyl)furan-2-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Formula |
C26H29NO5
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| Molecular Weight |
435.52
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| Canonical SMILES |
CCCCOc1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2cc(OC)c(OC)cc2C1
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| InChI |
InChI=1S/C26H29NO5/c1-4-5-14-31-21-8-6-18(7-9-21)22-10-11-23(32-22)26(28)27-13-12-19-15-24(29-2)25(30-3)16-20(19)17-27/h6-11,15-16H,4-5,12-14,17H2,1-3H3
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| InChIKey |
YUTAKSUYNZFCPJ-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