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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032019
CHEMBL2032019
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H24N6O4S

Additional synonyms for CHEMBL2032019 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(N(C)N(C4=O)c5ccccc5)c6csc(C)n6)n ...
Download SMILES
Standard InChI InChI=1S/C30H24N6O4S/c1-18-33-24(17-41-18)28-27(30(38)36(35( ...
Download InChI
Standard InChI Key OSHPEWCCDRPGGK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032019

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
564.6 564.158 5.6 7 113.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 2 10 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.25 4.84 4.51 4.51 6 41 0.27

Structural Alerts

There are 1 structural alerts for CHEMBL2032019. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OSHPEWCCDRPGGK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032019



BindingDB 50383206
IBM Patent System 1DB3D877EBED2C9D14A51CF514421150
PubChem 11963389
PubChem: Thomson Pharma 17421947
SureChEMBL SCHEMBL197905
ZINC ZINC000084759211

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