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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL67793
CHEMBL67793
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H15N5O3

Additional synonyms for CHEMBL67793 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)[C@H]1C[C@H](C(O)[C@H]1O)n2cnc3c(N)nccc23
Standard InChI InChI=1S/C12H15N5O3/c13-11-8-6(1-2-15-11)17(4-16-8)7-3-5(12( ...
Download InChI
Standard InChI Key RHLCZGAAPDLDIE-IFBXMWMOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL67793

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
277.3 277.1175 -1.65 2 140.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 8 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.79 8.12 -1.46 -2.26 2 20 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL67793. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RHLCZGAAPDLDIE-IFBXMWMOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL67793



PubChem 44306838

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