Details of the Drug

General Information of Drug (ID: DMHQP84)

Drug Name

BW B218C

Synonyms

BW B218C; BW-B218C; ZLIVOFMPDUIULQ-VAWYXSNFSA-N; 134470-36-3; AC1O5RJN; SCHEMBL6008832; N-(1-Methyl-3-(3-phenoxyphenyl)prop-2-enyl)acetohydroxamic acid; N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide; Acetamide, N-hydroxy-N-(1-methyl-3-(3-phenoxyphenyl)-2-propenyl)-; (+)-(E)-N-[1-methyl-3-(3-phenoxyphenyl)prop-2-enyl]acetohydroxamic acid; N-[(E)-3-(3-Phenoxyphenyl)-1-methyl-2-propenyl]acetohydroxamic acid

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)

297.3

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H19NO3
IUPAC Name: N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
Canonical SMILES: CC(/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2)N(C(=O)C)O
InChI: InChI=1S/C18H19NO3/c1-14(19(21)15(2)20)11-12-16-7-6-10-18(13-16)22-17-8-4-3-5-9-17/h3-14,21H,1-2H3/b12-11+
InChIKey: ZLIVOFMPDUIULQ-VAWYXSNFSA-N