General Information of the Compound
Compound ID
CP0500932
Compound Name
5-Substituted-6-chlorouracil, 10a
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Synonyms
1000680-77-2
5-Substituted-6-chlorouracil, 10a
6-chloro-5-phenylpyrimidine-2,4(1H,3H)-dione
BDBM20065
CHEMBL235001
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Structure
Formula
C10H7ClN2O2
Molecular Weight
222.631
Canonical SMILES
Clc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
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InChI
InChI=1S/C10H7ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
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InChIKey
ORRYLQRWCPCGJZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.3836
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
65.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 23648518
SID: 47215494
ChEMBL ID
CHEMBL235001
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 = 400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-chloro-5-phenylpyrimidine-2,4(1H,3H)-dione )
Drug Name 6-chloro-5-phenylpyrimidine-2,4(1H,3H)-dione
Target(s)
Thymidine phosphorylase (TYMP)
Inhibitor