methylcarbamyl PAF   Click here for help

GtoPdb Ligand ID: 3427

Synonyms: mc-PAF | methyl-carbamyl platelet-activating factor
Comment: mc-PAF is the metabolically stable analogue of PAF
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 27
Topological polar surface area 115.96
Molecular weight 538.37
XLogP 6.15
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCCOCC(OC(=O)NC)COP(=O)(OCC[N+](C)(C)C)[O-]
Isomeric SMILES CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)NC)COP(=O)(OCC[N+](C)(C)C)[O-]
InChI InChI=1S/C26H55N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23-25(35-26(29)27-2)24-34-36(30,31)33-22-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)/t25-/m1/s1
InChI Key FNFHZBKBDFRYHS-RUZDIDTESA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
[(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-trimethylazaniumylethyl phosphate
Synonyms Click here for help
mc-PAF | methyl-carbamyl platelet-activating factor
Database Links Click here for help
CAS Registry No. 91575-58-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1599651
GtoPdb PubChem SID 135651517
PubChem CID 124663
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