DCMU

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Synonyms
Molecule Category Free-form
UNII 9I3SDS92WY
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Smiles CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChI
InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10Cl2N2O
Molecular Weight 233.09
AlogP 2.48
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlorella vulgaris
- 7300 - - -
Marchantia polymorpha
- 1584.89 - - -
Poa annua
- 130-400 - - -
Scenedesmus acutus
- 338.84 - - -
Spinacia oleracea
- 50.12-1900 - - 93.2-95.1

Cross References

Resources Reference
ChEMBL CHEMBL278489
FDA SRS 9I3SDS92WY
PDB W9M
PubChem 3120
SureChEMBL SCHEMBL7279
ZINC ZINC00057287
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