General Information of the Compound
Compound ID
CP0489314
Compound Name
5-Substituted-6-chlorouracil, 5g
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Synonyms
18493-82-8
5-Substituted-6-chlorouracil, 5g
5-benzyl-6-chloro-1H-pyrimidine-2,4-dione
5-benzyl-6-chloropyrimidine-2,4(1H,3H)-dione
BDBM20060
CHEMBL394673
LWRITIARHSTBLU-UHFFFAOYSA-N
Oprea1_007440
SCHEMBL2672214
SR-01000516321
SR-01000516321-1
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Structure
Formula
C11H9ClN2O2
Molecular Weight
236.658
Canonical SMILES
Clc1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
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InChI
InChI=1S/C11H9ClN2O2/c12-9-8(10(15)14-11(16)13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15,16)
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InChIKey
LWRITIARHSTBLU-UHFFFAOYSA-N
Physicochemical Property
logP
1.3074
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
65.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 23648513
ChEMBL ID
CHEMBL394673
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 4650 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-benzyl-6-chloropyrimidine-2,4(1H,3H)-dione )
Drug Name 5-benzyl-6-chloropyrimidine-2,4(1H,3H)-dione
Target(s)
Thymidine phosphorylase (TYMP)
 Target Info 
Inhibitor