ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1762203
CHEMBL1762203
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24ClF2N3O

Additional synonyms for CHEMBL1762203 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)O\N=C\1/CC(C)(C)Nc2cc(F)c(c(F)c12)c3cccc4c(Cl)c[nH]c ...
Download SMILES
Standard InChI InChI=1S/C23H24ClF2N3O/c1-22(2,3)30-29-17-10-23(4,5)28-16-9- ...
Download InChI
Standard InChI Key RGMOSYPQLNCAFJ-STBIYBPSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1762203

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
431.9 431.1576 6.88 2 49.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.41 6.99 6.99 3 30 0.43

Structural Alerts

There are 6 structural alerts for CHEMBL1762203. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RGMOSYPQLNCAFJ-STBIYBPSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1762203



BindingDB 50340664
PubChem: Thomson Pharma 121264628
SureChEMBL SCHEMBL4188773
ZINC ZINC000071388864

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