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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL234911
CHEMBL234911
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H22N4O4

Additional synonyms for CHEMBL234911 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1onc(n1)C(=O)[C@@H]2CCCN2C(=O)CNC(C)(C)CO
Standard InChI InChI=1S/C14H22N4O4/c1-9-16-13(17-22-9)12(21)10-5-4-6-18(10) ...
Download InChI
Standard InChI Key CMZSPRCDLFLVMB-JTQLQIEISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL234911

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
310.4 310.1641 -0.09 6 108.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.52 -.28 -.61 1 22 0.71

Structural Alerts

There are 3 structural alerts for CHEMBL234911. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CMZSPRCDLFLVMB-JTQLQIEISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL234911



BindingDB 50214722
Brenda 138447
PubChem 44432858
ZINC ZINC000028823295

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