General Information of the Compound
| Compound ID |
CP0423876
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| Compound Name |
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
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| Structure |
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| Formula |
C21H26FN3O2S
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| Molecular Weight |
403.523
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| Canonical SMILES |
CN(C)C(=O)C(CN1CCC2(CC1)OCc1ccc(F)cc21)Cc1cscn1
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| InChI |
InChI=1S/C21H26FN3O2S/c1-24(2)20(26)16(9-18-13-28-14-23-18)11-25-7-5-21(6-8-25)19-10-17(22)4-3-15(19)12-27-21/h3-4,10,13-14,16H,5-9,11-12H2,1-2H3
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| InChIKey |
JCRHKNSIOZXKIA-UHFFFAOYSA-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