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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL300162
CHEMBL300162
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H24N2O5S

Additional synonyms for CHEMBL300162 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N3Cc4ccccc4C[C@@H]3C(=O)C( ...
Download SMILES
Standard InChI InChI=1S/C25H24N2O5S/c1-26(2)21-11-7-17(8-12-21)18-9-13-22(1 ...
Download InChI
Standard InChI Key FDELEKDMYZLVHP-HSZRJFAPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL300162

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
464.5 464.1406 3.19 6 94.99 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.27 4.2 3.22 -.51 3 33 0.56

Structural Alerts

There are 8 structural alerts for CHEMBL300162. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FDELEKDMYZLVHP-HSZRJFAPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL300162



BindingDB 50077404
Nikkaji J1.122.643D
PubChem 11754185
PubChem: Thomson Pharma 16861878
ZINC ZINC000013797820

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