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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL223514
CHEMBL223514
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19N7O5

Additional synonyms for CHEMBL223514 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NOC)nc(nc23)C#C ...
Download SMILES
Standard InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9 ...
Download InChI
Standard InChI Key MYYKMRQUGDDSHS-QCUYGVNKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL223514

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
425.4 425.1448 -1.04 4 156.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 4 1 12 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.67 2.61 2.57 2.57 3 31 0.3

Structural Alerts

There are 6 structural alerts for CHEMBL223514. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MYYKMRQUGDDSHS-QCUYGVNKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL223514



BindingDB 50205729
PubChem 16115614
PubChem: Thomson Pharma 24762713
ZINC ZINC000034800895

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