General Information of the Compound
| Compound ID |
CP0374969
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| Compound Name |
8-[(3-methoxy-3-oxopropanoyl)amino]-4-oxochromene-2-carboxylic acid
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| Structure |
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| Formula |
C14H11NO7
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| Molecular Weight |
305.242
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| Canonical SMILES |
COC(=O)CC(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
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| InChI |
InChI=1S/C14H11NO7/c1-21-12(18)6-11(17)15-8-4-2-3-7-9(16)5-10(14(19)20)22-13(7)8/h2-5H,6H2,1H3,(H,15,17)(H,19,20)
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| InChIKey |
LAYJYCGUQOCKGQ-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: PT00624, G protein-coupled receptor GPR35
Protein ID: PT03308, G-protein coupled receptor 35