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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203436
CHEMBL2203436
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H31F3N6O4

Additional synonyms for CHEMBL2203436 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)c1onc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(CC(F)(F)F)CC4) ...
Download SMILES
Standard InChI InChI=1S/C27H31F3N6O4/c1-26(2,3)22-14-23(35-40-22)34-25(38)3 ...
Download InChI
Standard InChI Key DVPCNIKFABUUTG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203436

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
560.6 560.2359 5.67 7 121.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 10 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.91 3.95 3.09 3.09 3 40 0.34

Structural Alerts

There are no structural alerts for CHEMBL2203436

Compound Cross References

ChemSpider ChemSpider:DVPCNIKFABUUTG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203436



BindingDB 50400607
PubChem 54761507
PubChem: Thomson Pharma 131525613
SureChEMBL SCHEMBL1698581
ZINC ZINC000095561700

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