General Information of the Compound
Compound ID
CP0405260
Compound Name
5-Substituted-6-chlorouracil, 7c
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Structure
Formula
C7H7ClN2O2
Molecular Weight
186.598
Canonical SMILES
CC(=C)c1c(Cl)[nH]c(=O)[nH]c1=O
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InChI
InChI=1S/C7H7ClN2O2/c1-3(2)4-5(8)9-7(12)10-6(4)11/h1H2,2H3,(H2,9,10,11,12)
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InChIKey
ALRXTIJXBSUQDY-UHFFFAOYSA-N
Physicochemical Property
logP
0.7497
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
65.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 23648516
SID: 47215490
ChEMBL ID
CHEMBL235000
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
Ki = 3340 nM
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