Details of the Drug

General Information of Drug (ID: DMTQP3V)

Drug Name

NSC-50187

Synonyms

4'-Methoxyflavanone; Flavanone, 4'-methoxy-; 3034-08-0; 2-(4-methoxyphenyl)chroman-4-one; NSC-50187; NSC50187; 97005-76-0; 2-(4-Methoxy-phenyl)-chroman-4-one; CHEMBL241909; 2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one; 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-methoxyphenyl)-; ST070122; 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-methoxyphenyl)-, (S)-; 4''-Methoxyflavanone; AC1Q6KJS; AC1L2TV7; Oprea1_176638; Oprea1_635195; MLS000574900; SCHEMBL127704; MEGxp0_001700; CTK4G4994; CHEBI:63329; ACon1_000211; QIUYUYOXCGBABP-UHFFFAOYSA-N

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)

254.28

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H14O3
IUPAC Name: 2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=CC=CC=C3O2
InChI: InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3
InChIKey: QIUYUYOXCGBABP-UHFFFAOYSA-N