General Information of the Compound
| Compound ID |
CP0404305
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| Compound Name |
(3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C21H31N3O
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| Molecular Weight |
341.499
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| Canonical SMILES |
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccccc3)CC2)C1=O
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| InChI |
InChI=1S/C21H31N3O/c1-2-23-19-10-6-7-11-20(19)24(21(23)25)18-12-14-22(15-13-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3/t19-,20-/m1/s1
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| InChIKey |
NNSXGWNBPXSNGF-WOJBJXKFSA-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