Details of the Drug

General Information of Drug (ID: DM7GW4P)

Drug Name

4-oxo-4H-chromene-3-carboxylic acid

Synonyms

Chromone-3-carboxylic acid; 39079-62-4; 4-oxo-4H-chromene-3-carboxylic acid; 4-Oxo-4H-1-benzopyran-3-carboxylic acid; 4-oxochromene-3-carboxylic acid; CHEMBL315361; PCIITXGDSHXTSN-UHFFFAOYSA-N; MFCD00017338; Maybridge1_005842; 3-carboxychromone; ACMC-1AD65; SCHEMBL1253672; AC1L49D2; CTK1C4919; ZINC57725; HMS558B12; DTXSID90192327; MolPort-000-145-536; 4-oxo-chromene-3-carboxylic acid; Chromone-3-carboxylic acid, 97%; CC-721; BDBM50131081; 4H-Chromen-4-one-3-carboxylic acid; SBB017525; AKOS001044083; CS-W015906; VZ31583

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

190.15

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H6O4
IUPAC Name: 4-oxochromene-3-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O
InChI: InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)
InChIKey: PCIITXGDSHXTSN-UHFFFAOYSA-N