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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1311783
CHEMBL1311783
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N2O3

Additional synonyms for CHEMBL1311783 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)c2onc(c2)C(=O)NC(C)C
Standard InChI InChI=1S/C14H16N2O3/c1-9(2)15-14(17)12-8-13(19-16-12)10-4-6- ...
Download InChI
Standard InChI Key OTTGQCPZINNXJF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1311783

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
260.3 260.1161 2.49 4 64.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.68 - 3.07 3.07 2 19 0.92

Structural Alerts

There are no structural alerts for CHEMBL1311783

Compound Cross References

ChemSpider ChemSpider:OTTGQCPZINNXJF-UHFFFAOYSA-N
PubChem SID: 4249737

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1311783



ChEBI 107887
eMolecules 6688110
LINCS LSM-19264
Mcule MCULE-6884224298
MolPort MolPort-006-843-182
PubChem 3243647
ZINC ZINC000000423639

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