General Information of the Compound
Compound ID
CP0398575
Compound Name
5,7-dichloroquinazoline-2,4(1H,3H)-dione
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Structure
Formula
C8H4Cl2N2O2
Molecular Weight
231.038
Canonical SMILES
Clc1cc(Cl)c2c(c1)[nH]c(=O)[nH]c2=O
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InChI
InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-8(14)12-7(6)13/h1-2H,(H2,11,12,13,14)
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InChIKey
VTGDEPGOGCLOBK-UHFFFAOYSA-N
Physicochemical Property
logP
1.5232
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
65.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 1508801
SID: 93371294
ChEMBL ID
CHEMBL1210774
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: PT03652, Mitogen-activated protein kinase kinase kinase 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS