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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL595156
CHEMBL595156
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H27FN6O4

Additional synonyms for CHEMBL595156 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CNC(=O)c2cc(cc(C)n2)c3nnn(C[C@@H]4CC[C@H](CC4)C(=O)O) ...
Download SMILES
Standard InChI InChI=1S/C24H27FN6O4/c1-14-9-18(22-28-30-31(29-22)13-15-3-6- ...
Download InChI
Standard InChI Key WHBYITGVDLNGEB-JCNLHEQBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL595156

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
482.5 482.2078 3.01 8 132.12 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.77 .59 3.83 1.21 3 35 0.5

Structural Alerts

There are no structural alerts for CHEMBL595156

Compound Cross References

ChemSpider ChemSpider:WHBYITGVDLNGEB-JCNLHEQBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL595156



BindingDB 50305855
PubChem: Thomson Pharma 57289231
SureChEMBL SCHEMBL3683662

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