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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1568699
CHEMBL1568699
Compound Name CHLOROXURON
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15ClN2O2

Additional synonyms for CHEMBL1568699 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
Standard InChI InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20- ...
Download InChI
Standard InChI Key IVUXTESCPZUGJC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1568699

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
290.8 290.0822 4.23 3 41.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .42 3.2 3.2 2 20 0.92

Structural Alerts

There are no structural alerts for CHEMBL1568699

Compound Cross References

HRAC C2 - INHIBITION OF PHOTOSYNTHESIS AT PHOTOSYSTEM II
C21 - UREA
C213 - CHLOROXURON
ChemSpider ChemSpider:IVUXTESCPZUGJC-UHFFFAOYSA-N
PubChem SID: 144212219 SID: 29217937

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1568699



ACToR 1982-47-4
eMolecules 509652
EPA CompTox Dashboard DTXSID7040287
FDA SRS QER23C88ME
IBM Patent System 9E9C31753E09B684C0FFCA804FEB6F38
Mcule MCULE-8661514545
MolPort MolPort-003-933-348
Nikkaji J3.694C
PubChem 16115
PubChem: Thomson Pharma 16012017
SureChEMBL SCHEMBL132843
ZINC ZINC000002039034

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IVUXTESCPZUGJC-UHFFFAOYSA-N spacer
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