General Information of the Compound
| Compound ID |
CP0485881
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| Compound Name |
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one
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| Structure |
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| Formula |
C21H32N2O
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| Molecular Weight |
328.5
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| Canonical SMILES |
CCCC(=O)N1CCC2(C1)CCC(CC2)(N(C)C)c1ccccc1
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| InChI |
InChI=1S/C21H32N2O/c1-4-8-19(24)23-16-15-20(17-23)11-13-21(14-12-20,22(2)3)18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
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| InChIKey |
XEFUCVUEFXVJSU-UHFFFAOYSA-N
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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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor