General Information of the Compound
| Compound ID |
CP0852529
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| Compound Name |
6-acetyl-4,7-dimethyl-5-[3-(morpholin-4-yl)propoxy]coumarin
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| Structure |
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| Formula |
C20H25NO5
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| Molecular Weight |
359.422
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| Canonical SMILES |
CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCOCC1
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| InChI |
InChI=1S/C20H25NO5/c1-13-11-16-19(14(2)12-17(23)26-16)20(18(13)15(3)22)25-8-4-5-21-6-9-24-10-7-21/h11-12H,4-10H2,1-3H3
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| InChIKey |
CJUYLQHHCLMOGN-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A