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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8211
CHEMBL8211
Compound Name N-ETHYLMALEIMIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H7NO2

Additional synonyms for CHEMBL8211 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C(=O)C=CC1=O
Standard InChI InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
Standard InChI Key HDFGOPSGAURCEO-UHFFFAOYSA-N

Structural Alerts

There are 5 structural alerts for CHEMBL8211. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL8211

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
125.1 125.0477 0.16 1 37.38 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
- - .81 .81 0 9 0.47

Compound Cross References

ChemSpider ChemSpider:HDFGOPSGAURCEO-UHFFFAOYSA-N
PubChem SID: 11111152 SID: 50106270 SID: 85231035 SID: 90341440
Wikipedia N-Ethylmaleimide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8211



ACToR 128-53-0 25668-22-8
BindinDB 50220832
ChEBI 44485
DrugBank DB02967
eMolecules 475873
FDA SRS O3C74ACM9V
Guide to Pharmacology 5335
IBM Patent System ABF145A2E1631DCB43A22079212A1CAE
IBM Patents US7288356 US20040247493 US6218447 US20070231788 US6037139 US20020052438 EP1369455A1 US20050063916 US20050244929 EP1315826A1 US6051651 US6429304 US6120990 EP1166985A1 US20100221551 EP0791071B1 EP0426300B1 US20080051547 US20030092763 EP1149869A1 WO2007014193A2 EP1000980A1 EP0385601B1 US5387516 US20060172375 EP1892250A2 US7709625 EP1758617A2 US7514147 US20040214349 US7524875 US20070092942 WO1998052580A1 EP0590573A2 WO2001012584A2 EP1267170A1 US20100221308 US6552118 US20070104907 US6375951 WO2003068966A2 WO2008157495A2 US5670336 US6358490 US4849339 US6706786 US20090068178 EP0796873A1 EP1071448A1 EP1615698A2 EP1432802B1 US6090623 EP1146065A1 EP1230548B1 US6900152 US20030228345 US5817632 EP0431600A1 EP0969063A3 EP0393713A1 EP1217038B1 US20060106194 US20090234087 US20090298077 WO2009062027A1 EP1903396A1 WO2009070742A2 US6171609 US20060073113 EP1896140A1 US20050164234 WO2001064238A2 US5573940 US5650334 EP1762227B1 EP1904582A2 US6506701 US5919871 WO1994000154A1 EP1630186A1 US20060258576 US5478903 WO1999049887A1 US20030036111 WO2007079558A3 EP0234766B1 US7745550 US6653450 WO2001044816A2 US20020028192 WO2006045202A1 US7609930 US6692754 US20100279899 EP1053325A2 US20040242791 US4935497 EP0693556B1 US7750144 US20050003438
KEGG Ligand C02441
LINCS LSM-4219
Mcule MCULE-9216989340
MolPort MolPort-000-385-055
Nikkaji J21.254G
NMRShiftDB 10009837
PDBe NEQ
PubChem 4362
PubChem: Thomson Pharma 15218920
SureChEMBL SCHEMBL19666
ZINC ZINC00901367

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