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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1683461
CHEMBL1683461
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H36FN5O4S

Additional synonyms for CHEMBL1683461 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cnc(C)cc2C)CC1)N(O)C=O ...
Download SMILES
Standard InChI InChI=1S/C25H36FN5O4S/c1-18-11-20(3)27-13-22(18)6-5-21-7-9-3 ...
Download InChI
Standard InChI Key ICCQWMPCYVXIPA-DFBJGRDBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1683461

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
521.7 521.2472 3.4 11 116.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 9 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.36 6.91 3.34 3.17 2 36 0.27

Structural Alerts

There are 11 structural alerts for CHEMBL1683461. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ICCQWMPCYVXIPA-DFBJGRDBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1683461



BindingDB 50337739
PubChem 53322879
ZINC ZINC000066077842

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