General Information of the Compound
| Compound ID |
CP0448762
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| Compound Name |
(3aR,7aR)-1-[1-(1,4-Dimethyl-pentyl)-piperidin-4-yl]-3-ethyl-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C21H39N3O
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| Molecular Weight |
349.563
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| Canonical SMILES |
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C(C)CCC(C)C)C1=O
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| InChI |
InChI=1S/C21H39N3O/c1-5-23-19-8-6-7-9-20(19)24(21(23)25)18-12-14-22(15-13-18)17(4)11-10-16(2)3/h16-20H,5-15H2,1-4H3/t17?,19-,20-/m1/s1
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| InChIKey |
LTDPRNHZNVZARD-IPNZSQQUSA-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