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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2047862
CHEMBL2047862
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H12N2O2

Additional synonyms for CHEMBL2047862 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2C[C@H](N)C(=O)N(O)c2c1
Standard InChI InChI=1S/C10H12N2O2/c1-6-2-3-7-5-8(11)10(13)12(14)9(7)4-6/h2 ...
Download InChI
Standard InChI Key HZDQOXPYUJRISV-QMMMGPOBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2047862

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
192.2 192.0899 0.7 0 66.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.44 6.47 -.25 -.38 1 14 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL2047862. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HZDQOXPYUJRISV-QMMMGPOBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2047862



BindingDB 50386309
PubChem 53254527
PubChem: Thomson Pharma 124390260
ZINC ZINC000084669070

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