General Information of the Compound
| Compound ID |
CP0477339
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| Compound Name |
N-[(3-methoxythiophen-2-yl)methyl]-2-[(8R)-8-pyridin-2-yl-6-oxaspiro[4.5]decan-8-yl]ethanamine
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| Structure |
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| Formula |
C22H30N2O2S
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| Molecular Weight |
386.561
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| Canonical SMILES |
COc1ccsc1CNCC[C@]1(CCC2(CCCC2)OC1)c1ccccn1
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| InChI |
InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-14-12-21(20-6-2-5-13-24-20)10-11-22(26-17-21)8-3-4-9-22/h2,5-7,13,15,23H,3-4,8-12,14,16-17H2,1H3/t21-/m0/s1
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| InChIKey |
PBLQWRMJOGDCCW-NRFANRHFSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor