General Information of the Compound
| Compound ID |
CP0411109
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| Compound Name |
2-[3-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-2,3-dihydro-2lambda*6*-benzo[1,2,5]thiadiazol-1-yl]-N-methyl-acetamide
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| Structure |
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| Formula |
C24H38N4O3S
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| Molecular Weight |
462.66
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| Canonical SMILES |
CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
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| InChI |
InChI=1S/C24H38N4O3S/c1-25-24(29)19-27-22-13-9-10-14-23(22)28(32(27,30)31)21-15-17-26(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,25,29)
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| InChIKey |
DWNXBBYXVSGXIV-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