General Information of the Compound
| Compound ID |
CP0035617
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| Compound Name |
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide
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| Synonyms |
96744-75-1
Benzeneacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(45)dec-8-yl)-, (5alpha,7alpha,8beta)-(-)-
CHEBI:73357
DSSTox_CID_26326
DSSTox_GSID_46326
DSSTox_RID_81542
J5S4K6TKTG
N-Methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-8-yl)benzeneacetamide
NCGC00163179-01
U 69,593
U 69593
U-69593
U69,593
U69593
UNII-J5S4K6TKTG
[3H]-U69593
[3H]U69593
n-methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[45]dec-8-yl]acetamide
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| Structure |
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| Formula |
C22H32N2O2
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| Molecular Weight |
356.51
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| Canonical SMILES |
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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| InChIKey |
PGZRDDYTKFZSFR-ONTIZHBOSA-N
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| CAS |
96744-75-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Protein ID: PT01360, Nociceptin receptor
Clinical Information about the Compound