ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1257063
CHEMBL1257063
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H21N5O5S

Additional synonyms for CHEMBL1257063 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)N2N=C(C(=O)NCC(=O)Nc3nc4ccc(OC)cc4s3)c5ccccc5C2= ...
Download SMILES
Standard InChI InChI=1S/C26H21N5O5S/c1-35-16-9-7-15(8-10-16)31-25(34)19-6-4 ...
Download InChI
Standard InChI Key WLWIHRXVYJONEJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1257063

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
515.5 515.1263 3.2 7 150.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.9 1.86 3.52 3.32 4 37 0.38

Structural Alerts

There are 2 structural alerts for CHEMBL1257063. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WLWIHRXVYJONEJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1257063



BindingDB 50428029
Brenda 205496
eMolecules 15945139
Mcule MCULE-4529716692
Nikkaji J2.679.551F
PubChem 3423911
PubChem: Thomson Pharma 87327121
SureChEMBL SCHEMBL14960026
ZINC ZINC000003660323

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