General Information of the Compound
| Compound ID |
CP0070511
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| Compound Name |
2-Oxo-2H-chromene-3-carboxylic acid
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| Synonyms |
2-Oxo-2H-1-benzopyran-3-carboxylic acid
2-Oxo-2H-chromene-3-carboxylic acid
2-Oxobenzopyran-3-carboxylic acid
2-Oxochromene-3-carboxylic acid
2-oxo-2H-chromene-3-carboxylic acid
2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-
3-Carboxycoumarin
531-81-7
ACMLKANOGIVEPB-UHFFFAOYSA-N
AI3-36066
BRN 0154276
CHEMBL83294
Coumarin-3-carboxylic acid
EINECS 208-518-0
G 1 (The rodenticide)
G 1 (The rodenticide) (VAN)
G 1 (VAN)
G 1 (rodenticide)
MFCD00006852
Malonic acid, salicylidene-, delta-lactone
NSC 14797
NSC 53239
NSC53239
UNII-V85UOV8788
V85UOV8788
WLN:
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| Structure |
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| Formula |
C10H6O4
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| Molecular Weight |
190.154
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| Canonical SMILES |
OC(=O)c1cc2ccccc2oc1=O
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| InChI |
InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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| InChIKey |
ACMLKANOGIVEPB-UHFFFAOYSA-N
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| CAS |
531-81-7
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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: PT03308, G-protein coupled receptor 35
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound
Drug 1 ( 2-oxo-2H-chromene-3-carboxylic acid )
| Drug Name | 2-oxo-2H-chromene-3-carboxylic acid | ||
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