General Information of the Compound
| Compound ID |
CP0549303
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| Compound Name |
8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C22H34N2O
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| Molecular Weight |
342.527
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| Canonical SMILES |
CCCCN1CCC2(CCC(Cc3ccccc3)(CC2)N(C)C)C1=O
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| InChI |
InChI=1S/C22H34N2O/c1-4-5-16-24-17-15-21(20(24)25)11-13-22(14-12-21,23(2)3)18-19-9-7-6-8-10-19/h6-10H,4-5,11-18H2,1-3H3
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| InChIKey |
MPSGWGHFIVPXRX-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