General Information of the Compound
| Compound ID |
CP0373095
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| Compound Name |
(3aR,7aR)-1-Ethyl-3-(1-naphthalen-2-ylmethyl-piperidin-4-yl)-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C25H33N3O
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| Molecular Weight |
391.559
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| Canonical SMILES |
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccc4ccccc4c3)CC2)C1=O
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| InChI |
InChI=1S/C25H33N3O/c1-2-27-23-9-5-6-10-24(23)28(25(27)29)22-13-15-26(16-14-22)18-19-11-12-20-7-3-4-8-21(20)17-19/h3-4,7-8,11-12,17,22-24H,2,5-6,9-10,13-16,18H2,1H3/t23-,24-/m1/s1
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| InChIKey |
FTHQWELHZNAQSQ-DNQXCXABSA-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