General Information of the Compound
| Compound ID |
CP0395472
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| Compound Name |
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine
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| Structure |
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| Formula |
C21H28N2OS
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| Molecular Weight |
356.535
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| Canonical SMILES |
C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1
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| InChI |
InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1
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| InChIKey |
PJLIHYXPEOMIMJ-HXUWFJFHSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C