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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19826
CHEMBL19826
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30N6O5

Additional synonyms for CHEMBL19826 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2nc(nc(N)c2cc1OC)N3CCN([C@@H](C3)C(=O)NC(C)(C)C)C(=O)c ...
Download SMILES
Standard InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22 ...
Download InChI
Standard InChI Key XSHSZTXMXLVUME-INIZCTEOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL19826

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
482.5 482.2278 2.07 5 136.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 0 11 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.52 2.3 2.25 3 35 0.56

Structural Alerts

There are 1 structural alerts for CHEMBL19826. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XSHSZTXMXLVUME-INIZCTEOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19826



BindingDB 50063906
IBM Patent System E5511DCEC75C2A447703E7230B40245E
Nikkaji J955.149B
PubChem 9934955
PubChem: Thomson Pharma 14908043
SureChEMBL SCHEMBL6441384
ZINC ZINC000003950102

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