ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL243575
CHEMBL243575
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33N5O5S2

Additional synonyms for CHEMBL243575 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(= ...
Download SMILES
Standard InChI InChI=1S/C30H33N5O5S2/c1-30(2,3)19-14-22(26(40-4)23(15-19)35 ...
Download InChI
Standard InChI Key SYLXLRJHNPOSFK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL243575

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
607.7 607.1923 4.53 10 175.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 1 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.68 4.94 6.5 6.47 4 42 0.21

Structural Alerts

There are 1 structural alerts for CHEMBL243575. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SYLXLRJHNPOSFK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL243575



BindingDB 50218682
IBM Patent System 10E039D2ADD8ED644211C2D666332076
PubChem 9986150
PubChem: Thomson Pharma 14964163
SureChEMBL SCHEMBL3255234
ZINC ZINC000028710607

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