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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1173634
CHEMBL1173634
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H26FN3O4S

Additional synonyms for CHEMBL1173634 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)COc1ccc(cc1C(=O)N2CCN(CC2)c3ccc(cc3F)C#N)S(=O)(=O)C
Standard InChI InChI=1S/C23H26FN3O4S/c1-16(2)15-31-22-7-5-18(32(3,29)30)13- ...
Download InChI
Standard InChI Key MDILCRFEKWGLDH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1173634

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
459.5 459.1628 3.1 6 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
- - 3.08 3.08 2 32 0.66

Structural Alerts

There are no structural alerts for CHEMBL1173634

Compound Cross References

ChemSpider ChemSpider:MDILCRFEKWGLDH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1173634



BindingDB 50322424
IBM Patent System 337E34523708C42A3BC87EAA85380C9D
PubChem 11248146
PubChem: Thomson Pharma 16332860
SureChEMBL SCHEMBL4422805
ZINC ZINC000053298350

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