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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL264626
CHEMBL264626
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H30F3N9O6S

Additional synonyms for CHEMBL264626 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCNS(=O)(=O)c1ccccc1c2ccc(NC(=O)C3(Cn4cnnn4)CC(=NO3)c5cccc( ...
Download SMILES
Standard InChI InChI=1S/C28H29N9O4S.C2HF3O2/c1-2-14-32-42(39,40)25-9-4-3-8- ...
Download InChI
Standard InChI Key NCMUDDSTWPVWFC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL264626

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
587.7 587.2063 2.51 11 190.33 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 1 13 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.52 10.89 3.06 1.08 4 42 0.15

Structural Alerts

There are 6 structural alerts for CHEMBL264626. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NCMUDDSTWPVWFC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL264626



PubChem 10604773 44326646
PubChem: Thomson Pharma 15634082

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