General Information of the Compound
Compound ID
CP0723392
Compound Name
5-chloro-6-hydrazinouracil hydrochloride
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Synonyms
5-chloro-6-hydrazinouracil hydrochloride
CHEMBL558777
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Structure
Formula
C4H6Cl2N4O2
Molecular Weight
213.024
Canonical SMILES
Cl.NNc1nc(O)nc(O)c1Cl
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InChI
InChI=1S/C4H5ClN4O2.ClH/c5-1-2(9-6)7-4(11)8-3(1)10;/h6H2,(H3,7,8,9,10,11);1H
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InChIKey
CEUAYFMFBGNGQD-UHFFFAOYSA-N
Physicochemical Property
logP
0.2486
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
104.29
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 45263377
ChEMBL ID
CHEMBL558777
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01816, Thymidine phosphorylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-chloro-6-hydrazinouracil hydrochloride )
Drug Name 5-chloro-6-hydrazinouracil hydrochloride
Target(s)
Thymidine phosphorylase (TYMP)
Inhibitor