General Information of the Compound
| Compound ID |
CP0877758
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| Compound Name |
(S)(-)3-(2'-Fluoro-4',5'-dihydro-1H-spiro[piperidine-4,7'-thieno[2,3-c]-pyran]-1-yl)2-(2-Fluorobenzyl)-N,N-dimethylpropanamide L-tatrtaric acid salt
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| Structure |
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| Formula |
C27H34F2N2O8S
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| Molecular Weight |
584.638
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| Canonical SMILES |
CN(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12.O=C(O)C(O)C(O)C(=O)O
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| InChI |
InChI=1S/C23H28F2N2O2S.C4H6O6/c1-26(2)22(28)18(13-16-5-3-4-6-19(16)24)15-27-10-8-23(9-11-27)21-17(7-12-29-23)14-20(25)30-21;5-1(3(7)8)2(6)4(9)10/h3-6,14,18H,7-13,15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t18-;/m0./s1
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| InChIKey |
OQBZXQKRSGAFQD-FERBBOLQSA-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: PT01360, Nociceptin receptor