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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL560739
CHEMBL560739
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H29ClFN3O4

Additional synonyms for CHEMBL560739 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c3cc(Cl)c(N)cc3OC
Standard InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(2 ...
Download InChI
Standard InChI Key DCSUBABJRXZOMT-IRLDBZIGSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL560739

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
466 465.1831 3.36 9 86.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.01 7.47 2.83 2.46 2 32 0.44

Structural Alerts

There are 4 structural alerts for CHEMBL560739. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DCSUBABJRXZOMT-IRLDBZIGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL560739



Brenda 201177
ChEBI 3720
DrugBank DB00604
eMolecules 8318494
Human Metabolome Database HMDB0014742
IBM Patent System 7B3CD7DE8C0B16FAC4FDF8F5B7E93E0D
LINCS LSM-2133
MolPort MolPort-003-983-451
Nikkaji J239.729C
PubChem 6917698
PubChem: Thomson Pharma 14784921 56361060
SureChEMBL SCHEMBL16132
ZINC ZINC000003775140

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