General Information of the Compound
| Compound ID |
CP0380137
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| Compound Name |
6-chloro-8-[(3-methylbenzoyl)amino]-4-oxochromene-2-carboxylic acid
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| Structure |
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| Formula |
C18H12ClNO5
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| Molecular Weight |
357.749
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| Canonical SMILES |
Cc1cccc(c1)C(=O)Nc1cc(Cl)cc2c1oc(cc2=O)C(O)=O
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| InChI |
InChI=1S/C18H12ClNO5/c1-9-3-2-4-10(5-9)17(22)20-13-7-11(19)6-12-14(21)8-15(18(23)24)25-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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| InChIKey |
MHFUMXCPFDMBDB-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