ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL257411
CHEMBL257411
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H25N7O3S

Additional synonyms for CHEMBL257411 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc5nccs5)c3)c12)C(=O)N6CCO ...
Download SMILES
Standard InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4- ...
Download InChI
Standard InChI Key RZPOCZHUFDCVQZ-QGZVFWFLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL257411

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
515.6 515.174 3.85 7 107.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 1 10 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.51 2.83 2.82 5 37 0.35

Structural Alerts

There are no structural alerts for CHEMBL257411

Compound Cross References

ChemSpider ChemSpider:RZPOCZHUFDCVQZ-QGZVFWFLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL257411



BindingDB 50236369
Brenda 38132
IBM Patent System D54909A0D9FDFA0FBD72538E45555397
PubChem 16118310
PubChem: Thomson Pharma 24765468
SureChEMBL SCHEMBL3374826
ZINC ZINC000029041340

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