General Information of the Compound
| Compound ID |
CP0498920
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| Compound Name |
2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-3-yl]-N-methyl-acetamide
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| Structure |
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| Formula |
C25H40N4O3S
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| Molecular Weight |
476.687
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| Canonical SMILES |
CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
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| InChI |
InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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| InChIKey |
RZDUOQROGWWVSU-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