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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2315179
CHEMBL2315179
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H23F3N4OS

Additional synonyms for CHEMBL2315179 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c4ncc(C#N)s4)Oc5ccccc25)c1
Standard InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)19-5-3-4-18(14-19)17-32-1 ...
Download InChI
Standard InChI Key SXXCTLCXNYGFRR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2315179

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
484.6 484.1545 5.86 3 52.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 1 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.11 4.3 4.28 3 34 0.47

Structural Alerts

There are no structural alerts for CHEMBL2315179

Compound Cross References

ChemSpider ChemSpider:SXXCTLCXNYGFRR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2315179



BindingDB 50425256
PubChem 50924443
PubChem: Thomson Pharma 113918632
ZINC ZINC000095597902

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