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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL575027
CHEMBL575027
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19N7O4

Additional synonyms for CHEMBL575027 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(NC)nc(nc23)C#Cc ...
Download SMILES
Standard InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4- ...
Download InChI
Standard InChI Key VICVZCMBYDYFRR-QCUYGVNKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL575027

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
409.4 409.1499 -0.97 3 147.31 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 0 11 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.69 2.65 2.96 2.96 3 30 0.4

Structural Alerts

There are 1 structural alerts for CHEMBL575027. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VICVZCMBYDYFRR-QCUYGVNKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL575027



BindingDB 50299697
PubChem 44598836
PubChem: Thomson Pharma 87331356
ZINC ZINC000045288961

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