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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL492570
CHEMBL492570
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H10F4N2O3

Additional synonyms for CHEMBL492570 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc2Oc3ccccc3C(C(=O)Nc4occ(n4)C(F)(F)F)c2c1
Standard InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-13-11(7-9)15(10-3-1-2-4-12(1 ...
Download InChI
Standard InChI Key CZZMGDJRWNPMPM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL492570

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
378.3 378.0628 4.71 2 64.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.33 - 2.89 2.89 3 27 0.66

Structural Alerts

There are 2 structural alerts for CHEMBL492570. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CZZMGDJRWNPMPM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL492570



BindingDB 50258141
IBM Patent System 92F05E004296648FB5B88A8A37177ED4
PubChem 10407284
PubChem: Thomson Pharma 15424711

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