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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1087540
CHEMBL1087540
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26F3N5O3

Additional synonyms for CHEMBL1087540 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCCNCc1cccc(c1)n2nc(cc2C(=O)NCc3cccc4OCCOc34)C(F)(F)F
Standard InChI InChI=1S/C24H26F3N5O3/c1-28-8-9-29-14-16-4-2-6-18(12-16)32-1 ...
Download InChI
Standard InChI Key CVJPIIHCIDASSV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1087540

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
489.5 489.1988 2.9 9 89.44 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.13 10.08 2.03 -.42 3 35 0.4

Structural Alerts

There are 2 structural alerts for CHEMBL1087540. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CVJPIIHCIDASSV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1087540



BindingDB 50311699
IBM Patent System 3F934D35405D39B54EB28B396761C333
PubChem 46880095
SureChEMBL SCHEMBL4564216
ZINC ZINC000049113228

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