General Information of the Compound
Compound ID
CP0795549
Compound Name
5-chloro-6-morpholinopyrimidine-2,4(1H,3H)-dione hydrochloride
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Structure
Formula
C8H11Cl2N3O3
Molecular Weight
268.1
Canonical SMILES
Cl.Oc1nc(O)c(Cl)c(N2CCOCC2)n1
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InChI
InChI=1S/C8H10ClN3O3.ClH/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12;/h1-4H2,(H2,10,11,13,14);1H
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InChIKey
HYEIMQTUVHKNSV-UHFFFAOYSA-N
Physicochemical Property
logP
0.7996
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
78.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 45263386
ChEMBL ID
CHEMBL536739
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 = 8300 nM
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