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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL845
CHEMBL845
Compound Name N-DESMETHYLCLOZAPINE
ChEMBL Synonyms Norclozapine | N-Demethylclozapine
Max Phase 0
Trade Names
Molecular Formula C17H17ClN4

Additional synonyms for CHEMBL845 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N4CCNCC4
Standard InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8 ...
Download InChI
Standard InChI Key JNNOSTQEZICQQP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL845

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
312.8 312.1142 2.89 1 39.66 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.5 4.46 3.27 2 22 0.85

Structural Alerts

There are no structural alerts for CHEMBL845

Compound Cross References

ChemSpider ChemSpider:JNNOSTQEZICQQP-UHFFFAOYSA-N
PubChem SID: 11113852 SID: 26752025 SID: 90341107
Wikipedia Desmethylclozapine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL845



ACToR 6104-71-8
BindingDB 50122054
Brenda 80133
ChEBI 64050
eMolecules 537374
EPA CompTox Dashboard DTXSID0042616
FDA SRS 1I9001LWY8
Human Metabolome Database HMDB0060536
IBM Patent System 536BBFEEC4CB435C5D5F94207B369A38
LINCS LSM-2206
Metabolights MTBLC64050
MolPort MolPort-003-846-355
Nikkaji J446.142H
PubChem: Thomson Pharma 14776686
SureChEMBL SCHEMBL781423
ZINC ZINC000003995781

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