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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL300208
CHEMBL300208
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H19N3O3S

Additional synonyms for CHEMBL300208 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[S+]([O-])c1c(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc5n1C
Standard InChI InChI=1S/C23H19N3O3S/c1-25-12-15(13-8-4-6-10-16(13)25)18-20( ...
Download InChI
Standard InChI Key BEWICDRUAXGGBV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL300208

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
417.5 417.1147 2.97 3 73.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.39 - 4.29 3.99 4 30 0.52

Structural Alerts

There are 6 structural alerts for CHEMBL300208. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BEWICDRUAXGGBV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL300208



BindingDB 2636
IBM Patent System 6C1B787D75D03D5FF79236AECDC4BE64
Nikkaji J443.037I
PubChem 5327700
SureChEMBL SCHEMBL8167043

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