General Information of the Compound
| Compound ID |
CP0395599
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| Compound Name |
6-bromo-8-[(2-chloro-4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
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| Structure |
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| Formula |
C18H11BrClNO6
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| Molecular Weight |
452.644
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| Canonical SMILES |
COc1ccc(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C18H11BrClNO6/c1-26-9-2-3-10(12(20)6-9)17(23)21-13-5-8(19)4-11-14(22)7-15(18(24)25)27-16(11)13/h2-7H,1H3,(H,21,23)(H,24,25)
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| InChIKey |
OHKLHXMRSPNFAH-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
Protein ID: PT05453, G-protein coupled receptor 55