General Information of the Compound
| Compound ID |
CP0404259
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| Compound Name |
(3aR,7aR)-1-(1-Naphthalen-2-ylmethyl-piperidin-4-yl)-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C23H29N3O
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| Molecular Weight |
363.505
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| Canonical SMILES |
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C23H29N3O/c27-23-24-21-7-3-4-8-22(21)26(23)20-11-13-25(14-12-20)16-17-9-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,9-10,15,20-22H,3-4,7-8,11-14,16H2,(H,24,27)/t21-,22-/m1/s1
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| InChIKey |
SJRARVTUGYVYHO-FGZHOGPDSA-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