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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1493986
CHEMBL1493986
Compound Name METHYL ANTHRANILATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H9NO2

Additional synonyms for CHEMBL1493986 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1ccccc1N
Standard InChI InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
Standard InChI Key VAMXMNNIEUEQDV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1493986

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
151.2 151.0633 1.06 1 52.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.19 2.18 2.18 1 11 0.48

Structural Alerts

There are 4 structural alerts for CHEMBL1493986. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VAMXMNNIEUEQDV-UHFFFAOYSA-N
PubChem SID: 144208855 SID: 144210665 SID: 17388922

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1493986



ACToR 134-20-3
Brenda 119110 28977 71994 173730
ChEBI 73244
ChemicalBook CB0722306
eMolecules 478126
EPA CompTox Dashboard DTXSID6025567
FDA SRS 981I0C1E5W
Human Metabolome Database HMDB0029703
IBM Patent System 25DA46ABBC33EA20592AE765C7AF29F8
Mcule MCULE-3500477192
Metabolights MTBLC73244
MolPort MolPort-000-004-891
Nikkaji J2.018D
NMRShiftDB 10008602
PubChem 8635
PubChem: Thomson Pharma 14843017
Rhea 73244
SureChEMBL SCHEMBL57713
ZINC ZINC000000157525

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