Z944   Click here for help

GtoPdb Ligand ID: 7718

Synonyms: Z 944 | Z-944
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 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 61.44
Molecular weight 383.18
XLogP 3.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1cc(F)cc(c1)Cl
Isomeric SMILES O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1cc(F)cc(c1)Cl
InChI InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
InChI Key JOCLITFYIMJMNK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
Synonyms Click here for help
Z 944 | Z-944
Database Links Click here for help
CAS Registry No. 1199236-64-0 (source: Scifinder)
GtoPdb PubChem SID 223366051
PubChem CID 44540045
RCSB PDB Ligand DZR
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Tocris
Z 944
Cat. No. 6367