ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL183096
CHEMBL183096
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H34N6O4S

Additional synonyms for CHEMBL183096 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc(cc1C2=Nc3c(C(=O)N2)c(CC)nn3C4CCCC4)S(=O)(=O)N5CCN(C ...
Download SMILES
Standard InChI InChI=1S/C25H34N6O4S/c1-4-20-22-24(31(28-20)17-8-6-7-9-17)26 ...
Download InChI
Standard InChI Key MMCFWOPLWHFLMT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL183096

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
514.7 514.2362 2.8 7 113.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 10 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.36 6.04 3.32 3.26 3 36 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL183096. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MMCFWOPLWHFLMT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL183096



BindingDB 50169624
ZINC ZINC000028353088

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