ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL202485
CHEMBL202485
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H30FN5O4S

Additional synonyms for CHEMBL202485 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2c(Nc3ncc(Oc4cccc(F)c4)s3)ncnc2cc1OCCCN5CCC(CO)CC5
Standard InChI InChI=1S/C27H30FN5O4S/c1-35-23-13-21-22(14-24(23)36-11-3-8-3 ...
Download InChI
Standard InChI Key UGCMPWVZDVKTSS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL202485

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
539.6 539.2003 5.24 11 101.86 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 2 9 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.75 1.9 .48 4 38 0.25

Structural Alerts

There are 2 structural alerts for CHEMBL202485. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGCMPWVZDVKTSS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL202485



PubChem 11497535
PubChem: Thomson Pharma 16599416
ZINC ZINC000028568598

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