ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1784336
CHEMBL1784336
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H38FN3O5S

Additional synonyms for CHEMBL1784336 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(F)ccc1CCC2CCN(CC2)S(=O)(=O)CC3(CCN(CC3)C(=O)C4CCC4)N(O ...
Download SMILES
Standard InChI InChI=1S/C26H38FN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-2 ...
Download InChI
Standard InChI Key VKMTZVHITCDFFV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1784336

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
523.7 523.2516 3.12 9 98.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 8 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.15 - 4.07 3.97 1 36 0.3

Structural Alerts

There are 11 structural alerts for CHEMBL1784336. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VKMTZVHITCDFFV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1784336



BindingDB 50345539
PubChem 54581029
ZINC ZINC000071296070

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