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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL247240
CHEMBL247240
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H17F4N7OS

Additional synonyms for CHEMBL247240 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1cc(Nc2ccc(cc2)C(=O)Nc3nc(ns3)c4ccc(F)c(c4)C(F)(F)F)nc ...
Download SMILES
Standard InChI InChI=1S/C22H17F4N7OS/c1-33(2)18-10-17(27-11-28-18)29-14-6-3 ...
Download InChI
Standard InChI Key ZOTXREFTVLTGPQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL247240

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
503.5 503.1151 5.26 7 124.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.7 5.7 6.14 6.13 4 35 0.33

Structural Alerts

There are 1 structural alerts for CHEMBL247240. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZOTXREFTVLTGPQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL247240



BindingDB 50219698
IBM Patent System 26E48FD9811529C4726BC92A0FA77F51
PubChem 11613064
PubChem: Thomson Pharma 16715904
SureChEMBL SCHEMBL4875963
ZINC ZINC000028953247

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