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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256353
CHEMBL1256353
Compound Name MOLSIDOMINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H14N4O4

Additional synonyms for CHEMBL1256353 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)\N=C\1/O[N-][N+](=C1)N2CCOCC2
Standard InChI InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15- ...
Download InChI
Standard InChI Key XLFWDASMENKTKL-NTMALXAHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1256353

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
242.2 242.1015 -1.45 2 82.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -4.17 -4.17 1 17 0.59

Structural Alerts

There are 7 structural alerts for CHEMBL1256353. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XLFWDASMENKTKL-NTMALXAHSA-N
Wikipedia Molsidomine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256353



ChEBI 31861
DrugCentral 1831
eMolecules 26985079
LINCS LSM-2777
MolPort MolPort-009-684-981 MolPort-023-220-276

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