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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL243596
CHEMBL243596
Compound Name IMINOSTILBENE
ChEMBL Synonyms Iminostilbene | 5H-Dibenz[B,F]Azepine
Max Phase 0
Trade Names
Molecular Formula C14H11N

Additional synonyms for CHEMBL243596 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N1c2ccccc2C=Cc3ccccc13
Standard InChI InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-1 ...
Download InChI
Standard InChI Key LCGTWRLJTMHIQZ-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL243596

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
193.3 193.0891 3.91 0 12.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.71 3.92 3.92 2 15 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL243596. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LCGTWRLJTMHIQZ-UHFFFAOYSA-N
PubChem SID: 26664921
Wikipedia Dibenzazepine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL243596



ACToR 26389-62-8
Atlas dibenzazepine
ChEBI 47802
ChemicalBook CB8853392
eMolecules 481774
FDA SRS J411KQJ8C2
IBM Patent System DD876C25A1C8FF381DD0565303E9D1D5
Mcule MCULE-2671009616
Metabolights MTBLC47802
MolPort MolPort-001-760-009
Nikkaji J24.602F
PDBe ONB
PubChem 9212
PubChem: Thomson Pharma 15042421
SureChEMBL SCHEMBL75288
ZINC ZINC000001036792

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