General Information of the Compound
| Compound ID |
CP0406755
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| Compound Name |
(3aR,7aR)-1-(1-Cyclooctyl-piperidin-4-yl)-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C20H35N3O
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| Molecular Weight |
333.52
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| Canonical SMILES |
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCCCCCC1
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| InChI |
InChI=1S/C20H35N3O/c24-20-21-18-10-6-7-11-19(18)23(20)17-12-14-22(15-13-17)16-8-4-2-1-3-5-9-16/h16-19H,1-15H2,(H,21,24)/t18-,19-/m1/s1
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| InChIKey |
SIKXVXOGIUHXJZ-RTBURBONSA-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