ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1076356
CHEMBL1076356
Compound Name CLOMAZONE
ChEMBL Synonyms Clomazone
Max Phase 0
Trade Names
Molecular Formula C12H14ClNO2

Additional synonyms for CHEMBL1076356 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CON(Cc2ccccc2Cl)C1=O
Standard InChI InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10 ...
Download InChI
Standard InChI Key KIEDNEWSYUYDSN-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL1076356

Alternate Forms of Compound in ChEMBL


CHEMBL1076356

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
239.7 239.0713 2.49 2 29.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.54 2.54 1 16 0.79

Compound Cross References

HRAC F3 - BLEACHING: INHIBITION OF CAROTENOID BIOSYNTHESIS (UNKNOWN TARGET)
F32 - ISOXAZOLIDINONE
F321 - CLOMAZONE
ChemSpider ChemSpider:KIEDNEWSYUYDSN-UHFFFAOYSA-N
PubChem SID: 144211275 SID: 26757339
Wikipedia Clomazone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1076356



ACToR 81777-89-1
ChEBI 3751
eMolecules 510933
FDA SRS 570RAC03NF
IBM Patent System 153BC5EAC72C44FBC5650298676AD213
IBM Patents WO1998027082A1 EP1164849A1 WO2010031721A1 US4816065 EP2112149A1 WO2007071730A2 WO1993021763A1 US6245716 US20040167029 EP2006288A1 WO2010057880A1 US20090062120 EP0609734A1 EP0769001B1 US20010039321 US6265348 WO2010128003A2 WO2010101659A1 EP1389040B1 US20070104751 US20030171220 WO2010044832A2 US6110869 WO2003011853A1 WO1998040361A1 US6746989 WO1999045780A1 WO2000042844A1 US20090036310 WO2007082098A2 WO2001077084A1 US6559098 US5279421 US20030069136 WO2003070710A1 EP1246529B1 EP0877745A2 WO2000071785A2 US6316388 US20090247597 US6689719 EP0809629A1 EP1117727B1 EP1556158A1 EP0947516A1 US7479471 WO2006131187A1 EP1133233B1 US7138361 EP1799657A1 US20100137137 US6271180 US20020160915 EP0537539A1 EP0944607A1 EP0403938A2 US20100323896 US7842646 WO2004064796A1 EP1173428A1 EP1911350A1 EP1539705A2 EP1259496A1 US6642180 US6200935 WO2000064256A1 US7326761 WO2002069718A2 WO1999028301A1 EP0610314A1 EP2215909A2 WO2007006409A2 WO2003005823A2 WO2003051122A1 US20060116289 EP1458237A1 EP1246529A2 WO2009053095A2 EP1855529A2 WO2006037945A1 WO2000008000A1 US20040063581 US20030129081 US20050282707 US20090240057 WO2004103072A1 US20080305952 WO2010116122A2 WO2004008854A1 EP1200423A1 WO2010059676A2 EP1998622A1 EP0663396A1 US6617281 US5167696 EP1395117B2 EP1080077A1 EP1721522A2 EP0788740A1 EP1064271A1
KEGG Ligand C11095
MolPort MolPort-003-933-673
Nikkaji J134.068I
PubChem 54778
PubChem: Thomson Pharma 15196399
SureChEMBL SCHEMBL23519
ZINC ZINC00900785

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