compound 24d [PMID: 23357634]   Click here for help

GtoPdb Ligand ID: 6366

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.69
Molecular weight 306.11
XLogP 3.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)NC1CCCC2(C1)CN=C(O2)c1cccc(c1)Cl
Isomeric SMILES CC(=O)N[C@H]1CCC[C@@]2(C1)CN=C(O2)c1cccc(c1)Cl
InChI InChI=1S/C16H19ClN2O2/c1-11(20)19-14-6-3-7-16(9-14)10-18-15(21-16)12-4-2-5-13(17)8-12/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,19,20)/t14-,16+/m0/s1
InChI Key NFPUARSXIMWASK-GOEBONIOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]acetamide
Database Links Click here for help
GtoPdb PubChem SID 178102984
PubChem CID 73755212
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