General Information of the Compound
| Compound ID |
CP0485872
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| Compound Name |
1-[8-(dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
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| Structure |
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| Formula |
C21H34N2OS
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| Molecular Weight |
362.583
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| Canonical SMILES |
CC(C)CC(=O)N1CCC2(C1)CCC(CC2)(N(C)C)c1sccc1C
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| InChI |
InChI=1S/C21H34N2OS/c1-16(2)14-18(24)23-12-11-20(15-23)7-9-21(10-8-20,22(4)5)19-17(3)6-13-25-19/h6,13,16H,7-12,14-15H2,1-5H3
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| InChIKey |
JMDXYPSUGVCCHS-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