AMG517   Click here for help

GtoPdb Ligand ID: 4129

Synonyms: AMG 517 | AMG-517
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 105.24
Molecular weight 430.07
XLogP 4.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)c1ccc(cc1)C(F)(F)F
Isomeric SMILES CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)c1ccc(cc1)C(F)(F)F
InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
InChI Key YUTIXVXZQIQWGY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
Synonyms Click here for help
AMG 517 | AMG-517
Database Links Click here for help
CAS Registry No. 659730-32-2 (source: Scifinder)
ChEMBL Ligand CHEMBL229430
GtoPdb PubChem SID 178100951
PubChem CID 16007367
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Tocris
AMG 517
Cat. No. 5995