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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273416
CHEMBL273416
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H15ClN4O3

Additional synonyms for CHEMBL273416 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)c1ccc(NC(=O)N(CCCl)N=O)cc1
Standard InChI InChI=1S/C12H15ClN4O3/c1-16(2)11(18)9-3-5-10(6-4-9)14-12(19) ...
Download InChI
Standard InChI Key PZDRJSZTIYNYJZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL273416

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
298.7 298.0833 2.14 5 82.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.1 - 1.46 1.46 1 20 0.51

Structural Alerts

There are 21 structural alerts for CHEMBL273416. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PZDRJSZTIYNYJZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273416



ACToR 13909-28-9
EPA CompTox Dashboard DTXSID90160905
PubChem 96995
ZINC ZINC000004958269

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