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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215803
CHEMBL215803
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H21N5O3

Additional synonyms for CHEMBL215803 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2CN1CCn3nc4c(cccc4c3O)c5nc6c(O2)cccc6nc5O
Standard InChI InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2 ...
Download InChI
Standard InChI Key PAXKGQZKOJPPEG-OLZOCXBDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215803

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
403.4 403.1644 2.91 0 96.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.96 7.73 3.52 2.21 4 30 0.47

Structural Alerts

There are no structural alerts for CHEMBL215803

Compound Cross References

ChemSpider ChemSpider:PAXKGQZKOJPPEG-OLZOCXBDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215803



ZINC ZINC000036770746

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