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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL357172
CHEMBL357172
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H31F3N6O5

Additional synonyms for CHEMBL357172 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1=C(C)NC(=O)N(C1c2cc(F)c(F)c(F)c2)C(=O)NCCCN3CCN(CC3 ...
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Standard InChI InChI=1S/C28H31F3N6O5/c1-16-22(26(39)42-2)24(17-14-19(29)23( ...
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Standard InChI Key CMSFKMOGRSBIOR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL357172

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
588.6 588.2308 2.64 8 137.31 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.45 7.58 2.18 1.78 2 42 0.25

Structural Alerts

There are 4 structural alerts for CHEMBL357172. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CMSFKMOGRSBIOR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL357172



BindingDB 50082860
Nikkaji J1.206.317B
PubChem 10722099
PubChem: Thomson Pharma 15757262

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