fanapanel   Click here for help

GtoPdb Ligand ID: 7636

Synonyms: ZK 200775 | ZK-200775 | ZK200775
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 134.67
Molecular weight 409.07
XLogP 1.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]c2cc(c(cc2n(c1=O)CP(=O)(O)O)N1CCOCC1)C(F)(F)F
Isomeric SMILES O=c1[nH]c2cc(c(cc2n(c1=O)CP(=O)(O)O)N1CCOCC1)C(F)(F)F
InChI InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
InChI Key WZMQMKNCWDCCMT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid
International Nonproprietary Names Click here for help
INN number INN
7759 fanapanel
Synonyms Click here for help
ZK 200775 | ZK-200775 | ZK200775
Database Links Click here for help
CAS Registry No. 161605-73-8 (source: Scifinder)
ChEMBL Ligand CHEMBL19892
GtoPdb PubChem SID 223365971
PubChem CID 208953
RCSB PDB Ligand ZK1
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Tocris
ZK 200775
Cat. No. 2345