General Information of the Compound
| Compound ID |
CP0489017
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| Compound Name |
8-acetyl-4-methyl-7-(4-morpholin-4-ylbutoxy)chromen-2-one
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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(OCCCCN2CCOCC2)ccc2c(C)cc(=O)oc12
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| InChI |
InChI=1S/C20H25NO5/c1-14-13-18(23)26-20-16(14)5-6-17(19(20)15(2)22)25-10-4-3-7-21-8-11-24-12-9-21/h5-6,13H,3-4,7-12H2,1-2H3
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| InChIKey |
NYMWTSCHGRASHI-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