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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL395366
CHEMBL395366
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H32F3N5O2

Additional synonyms for CHEMBL395366 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(cc2C(=O)NC3CCN(CC3)c4ccccc4CN5CCCC5)C(F)(F) ...
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Standard InChI InChI=1S/C28H32F3N5O2/c1-38-23-10-8-22(9-11-23)36-25(18-26(3 ...
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Standard InChI Key DIWCSTDCMYQMNO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL395366

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
527.6 527.2508 4.89 7 62.63 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 1 7 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.26 9.64 4.48 2.22 3 38 0.47

Structural Alerts

There are no structural alerts for CHEMBL395366

Compound Cross References

ChemSpider ChemSpider:DIWCSTDCMYQMNO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL395366



BindingDB 19047
PubChem 23648158
ZINC ZINC000014969612

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