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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203431
CHEMBL2203431
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30N6O4

Additional synonyms for CHEMBL2203431 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)c1onc(NC(=O)Nc2ccc(NC(=O)c3cc(OC4CCNCC4)ccn3)cc2)c1
Standard InChI InChI=1S/C25H30N6O4/c1-25(2,3)21-15-22(31-35-21)30-24(33)29- ...
Download InChI
Standard InChI Key PSABAQPTDYJLPZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203431

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
478.6 478.2329 4.39 6 130.41 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.91 9.42 3.67 1.68 3 35 0.41

Structural Alerts

There are no structural alerts for CHEMBL2203431

Compound Cross References

ChemSpider ChemSpider:PSABAQPTDYJLPZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203431



BindingDB 50400611
PubChem 54589425
PubChem: Thomson Pharma 163513018
SureChEMBL SCHEMBL17634411
ZINC ZINC000095559120

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