ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1173695
CHEMBL1173695
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24FN3O4S

Additional synonyms for CHEMBL1173695 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)c1ccc(OC2CCC2)c(c1)C(=O)N3CCN(CC3)c4ccc(cc4F)C#N
Standard InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-6-8-22(31-17-3-2-4-17)1 ...
Download InChI
Standard InChI Key FAANYHOWOLYOBE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1173695

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
457.5 457.1472 2.99 5 90.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.62 2.62 2 32 0.69

Structural Alerts

There are no structural alerts for CHEMBL1173695

Compound Cross References

ChemSpider ChemSpider:FAANYHOWOLYOBE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1173695



BindingDB 50322437
IBM Patent System F3A0F559DCBCB824C9CC8675547BD36B
PubChem 46839028
PubChem: Thomson Pharma 99222340
SureChEMBL SCHEMBL4424760
ZINC ZINC000053312517

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