SEA0400   

GtoPdb Ligand ID: 4617

Synonyms: SEA-0400
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 53.71
Molecular weight 371.13
XLogP 4.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOc1ccc(c(c1)N)Oc1ccc(cc1)OCc1cc(F)ccc1F
Isomeric SMILES CCOc1ccc(c(c1)N)Oc1ccc(cc1)OCc1cc(F)ccc1F
InChI InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3
InChI Key YSUBLPUJDOWYDP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline
Synonyms
SEA-0400
Database Links
CAS Registry No. 223104-29-8 (source: Scifinder)
ChEMBL Ligand CHEMBL332214
GtoPdb PubChem SID 178101335
PubChem CID 644100
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Tocris
SEA 0400
Cat. No. 6164