General Information of the Compound
| Compound ID |
CP0422074
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| Compound Name |
2-{3-[1-(Decahydro-naphthalen-2-yl)-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 |
C24H36N4O3S
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| Molecular Weight |
460.644
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| Canonical SMILES |
CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
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| InChI |
InChI=1S/C24H36N4O3S/c1-25-24(29)17-27-22-8-4-5-9-23(22)28(32(27,30)31)20-12-14-26(15-13-20)21-11-10-18-6-2-3-7-19(18)16-21/h4-5,8-9,18-21H,2-3,6-7,10-17H2,1H3,(H,25,29)
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| InChIKey |
VZLSLBVSXDAJEI-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