General Information of the Compound
| Compound ID |
CP0395733
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| Compound Name |
6-bromo-8-[(4-cyanobenzoyl)amino]-4-oxochromene-2-carboxylic acid
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| Structure |
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| Formula |
C18H9BrN2O5
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| Molecular Weight |
413.183
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| Canonical SMILES |
OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(cc3)C#N)c2o1
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| InChI |
InChI=1S/C18H9BrN2O5/c19-11-5-12-14(22)7-15(18(24)25)26-16(12)13(6-11)21-17(23)10-3-1-9(8-20)2-4-10/h1-7H,(H,21,23)(H,24,25)
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| InChIKey |
BFEJXEIMQKFBFT-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