General Information of the Compound
| Compound ID |
CP0409503
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| Compound Name |
(3aR,7aR)-1-[1-(1,4-Dimethyl-pentyl)-piperidin-4-yl]-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C19H35N3O
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| Molecular Weight |
321.509
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| Canonical SMILES |
CC(C)CCC(C)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O
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| InChI |
InChI=1S/C19H35N3O/c1-14(2)8-9-15(3)21-12-10-16(11-13-21)22-18-7-5-4-6-17(18)20-19(22)23/h14-18H,4-13H2,1-3H3,(H,20,23)/t15?,17-,18-/m1/s1
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| InChIKey |
VDSJMBDSZDXNIO-HSFDIDPMSA-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