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ConjuPepDB ID: cpd01359

Chemical structure


molecule
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cpd01359


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
KIF 2-[(3,6-Dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid
Identification
ConjuPepDB ID

cpd01359

Smiles
Molecular weight

947.341

Molecular formula

C42H57N7O14S2

Chemical name
Peptide information
Sequence (one letter)

KIF

Length

3

Peptide name

tripeptide

External ID
CAS number

372166-54-6

Other information
Application

Anticancer therapy, cytotoxic agents

Additional function

DNA scission

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

2-[(3,6-Dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid

Small molecule CAS

133735-47-4

Structure method

EPR

Calculated properties
LogP

0.15620

Rotatable bonds

28

H bond donor

11

H bond acceptor

16

Polar surface area (PSA)

322.44000

Citations
ID Title Year Authors Journal DOI

cpdart0207

DNA scission chemistry and EPR studies of four new bis(2,6-dimethoxyhydroquinone-3-mercaptoacetic acid)-peptide conjugates

2004

Song, Yu-Fei

Australian Journal of Chemistry

..