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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201372
CHEMBL1201372
Compound Name DESALKYLFLURAZEPAM
ChEMBL Synonyms Desalkylflurazepam
Max Phase 0
Trade Names
Molecular Formula C17H15ClFN3O

Additional synonyms for CHEMBL1201372 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13
Standard InChI InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14 ...
Download InChI
Standard InChI Key MVAUDJDXZPBWOW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1201372

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
331.8 331.0888 2.55 3 58.69 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.88 2.6 1.05 2 23 0.94

Structural Alerts

There are no structural alerts for CHEMBL1201372

Compound Cross References

ChemSpider ChemSpider:MVAUDJDXZPBWOW-UHFFFAOYSA-N
Wikipedia N-Desalkylflurazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201372



ACToR 17617-59-3
eMolecules 36757866
EPA CompTox Dashboard DTXSID80170093
FDA SRS BUJ3JOD7XF
IBM Patent System BF0E80C93A78520A83DD90EC8F691553
Nikkaji J54.517A
PubChem 28647
PubChem: Thomson Pharma 16829607
SureChEMBL SCHEMBL8124276
ZINC ZINC000005846956

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