Details of the Drug

General Information of Drug (ID: DMTXWCZ)

Drug Name

LFM-A13

Synonyms

lfm-a13; 244240-24-2; (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide; SMR001230714; SR-01000075965; 62004-35-7; C11H8Br2N2O2; 2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide; BiomolKI_000050; LFMA13; BiomolKI2_000056; AC1L1H0E; AC1NS4I5; Lopac0_000650; SCHEMBL51142; BSPBio_001239; BMK1-F2; MLS006010694; MLS002153290; GTPL9262; CHEBI:95065; 2-cyano-N-(2,5-dibromophenyl); MolPort-003-958-579; HMS1362M21; HMS3403M21; HMS2235P16; HMS1990M21; HMS1792M21; BCP12817; 3781AH; s7734; BS0111; ZINC37868487; AKOS024456516; CS-3890

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)

360

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H8Br2N2O2
IUPAC Name: (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide
Canonical SMILES: C/C(=C(\\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O
InChI: InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-
InChIKey: UVSVTDVJQAJIFG-VURMDHGXSA-N