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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL232200
CHEMBL232200
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H20F3N3O5

Additional synonyms for CHEMBL232200 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)NC(=O)N(C\C(=N\O)\COc2ccc(cc2)c3ccc(OC(F)(F)F)cc3)C1=O
Standard InChI InChI=1S/C21H20F3N3O5/c1-20(2)18(28)27(19(29)25-20)11-15(26- ...
Download InChI
Standard InChI Key XRXOKKLROFIKEH-YSMPRRRNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL232200

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
451.4 451.1355 3.79 7 100.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.15 - 4.21 4.16 2 32 0.29

Structural Alerts

There are 9 structural alerts for CHEMBL232200. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XRXOKKLROFIKEH-YSMPRRRNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL232200



BindingDB 50024761
PubChem 44431541
ZINC ZINC000028821530

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