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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL239496
CHEMBL239496
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H27F2N5O3

Additional synonyms for CHEMBL239496 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1nc(N)nc(N)c1c2ccc3OC(C)(C(=O)N(CCCOC)c3c2)c4cc(F)cc(F)c4
Standard InChI InChI=1S/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7 ...
Download InChI
Standard InChI Key UAXNNGUDPWZOKX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL239496

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
483.5 483.2082 3.83 7 116.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.36 1.73 1.44 3 35 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL239496. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UAXNNGUDPWZOKX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL239496



BindingDB 50330347 17988
Brenda 36893
PubChem 16043268
PubChem: Thomson Pharma 24427409

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