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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3261425
CHEMBL3261425
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30FN7O2S

Additional synonyms for CHEMBL3261425 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](CNc1cccc2c1cnn2c3ccc(F)nc3)NS(=O)(=O)c4c(C)nn(C5CCCC ...
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Standard InChI InChI=1S/C25H30FN7O2S/c1-16(31-36(34,35)25-17(2)30-32(18(25) ...
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Standard InChI Key NUUMMLYSKRRLTQ-INIZCTEOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3261425

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
511.6 511.2166 4.27 8 106.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.78 1.34 .9 .9 4 36 0.34

Structural Alerts

There are 4 structural alerts for CHEMBL3261425. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NUUMMLYSKRRLTQ-INIZCTEOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3261425



BindingDB 50014433
IBM Patent System 076F9D32F7C70E4583609E932D5EEBF1
PubChem 57690900
SureChEMBL SCHEMBL4115270
ZINC ZINC000043152881

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