General Information of the Compound
| Compound ID |
CP0498922
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| Compound Name |
2-{1-[1-(4-Isopropyl-cyclohexyl)-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 |
C24H38N4O3S
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| Molecular Weight |
462.66
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| Canonical SMILES |
CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O
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| InChI |
InChI=1S/C24H38N4O3S/c1-18(2)19-8-10-21(11-9-19)26-14-12-22(13-15-26)28-23-7-5-4-6-20(23)16-27(32(28,30)31)17-24(29)25-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,25,29)
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| InChIKey |
WHQPFMYEHBORQQ-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