Details of the Drug

General Information of Drug (ID: DM0K6QH)

Drug Name

Bis-Napthyl Beta-Ketophosphonic Acid

Synonyms

BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID; [(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid; (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID; KTP; 1kyn; AC1L9K5C; DB02360; (1R)-1-(naphthalen-1-yl)-2-(naphthalen-2-yl)-2-oxoethylphosphonic 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)

376.3

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H17O4P
IUPAC Name: [(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)[C@@H](C3=CC=CC4=CC=CC=C43)P(=O)(O)O
InChI: InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1
InChIKey: OFHMUASCSJJNNA-JOCHJYFZSA-N