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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL571466
CHEMBL571466
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15N5O3

Additional synonyms for CHEMBL571466 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1ncn2c1Cn3ncnc3c4cc(OC)ccc24
Standard InChI InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)1 ...
Download InChI
Standard InChI Key PCLDOYFAYOCLQE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL571466

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
325.3 325.1175 1.68 3 84.06 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.42 3.04 3.04 3 24 0.53

Structural Alerts

There are 1 structural alerts for CHEMBL571466. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PCLDOYFAYOCLQE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL571466



BindingDB 50378525
IBM Patent System F3983909D19017CF38C3CD2DF4FD1CB7
PubChem 11652752
PubChem: Thomson Pharma 16756235
SureChEMBL SCHEMBL3566102
ZINC ZINC000045288044

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