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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL575925
CHEMBL575925
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H22N6O3S

Additional synonyms for CHEMBL575925 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)c1onc(NC(=O)Nc2ccc(NC(=O)c3cn4c5ccccc5sc4n3)cc2)c1
Standard InChI InChI=1S/C24H22N6O3S/c1-24(2,3)19-12-20(29-33-19)28-22(32)26 ...
Download InChI
Standard InChI Key OEUMLQMTMOCCGW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL575925

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
474.6 474.1474 5.73 4 113.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.48 3.4 3.9 3.9 5 34 0.31

Structural Alerts

There are no structural alerts for CHEMBL575925

Compound Cross References

ChemSpider ChemSpider:OEUMLQMTMOCCGW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL575925



BindingDB 50300691
IBM Patent System 6374CF1DB15AC5D5830ADD2E74A6E648
PubChem 44622967
PubChem: Thomson Pharma 87548471
SureChEMBL SCHEMBL13234746
ZINC ZINC000045301101

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