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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL202892
CHEMBL202892
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H19N7O3

Additional synonyms for CHEMBL202892 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cnc(NCc2ccncc2)c1c3oc(NCc4ccc5OCOc5c4)nn3
Standard InChI InChI=1S/C20H19N7O3/c1-27-11-24-18(22-9-13-4-6-21-7-5-13)17( ...
Download InChI
Standard InChI Key UQKIMTZGDDFLIL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL202892

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
405.4 405.1549 2.82 7 112.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.21 1.88 1.88 4 30 0.48

Structural Alerts

There are no structural alerts for CHEMBL202892

Compound Cross References

ChemSpider ChemSpider:UQKIMTZGDDFLIL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL202892



BindingDB 50178520
PubChem 44408924
ZINC ZINC000028571498

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