General Information of the Compound
| Compound ID |
CP0867056
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| Compound Name |
N-(2,6-difluorobenzyl)-N-{2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]ethyl}-2-methanesulfonyl-acetamide
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| Formula |
C25H30F2N2O4S
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| Molecular Weight |
492.588
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| Canonical SMILES |
CS(=O)(=O)CC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F
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| InChI |
InChI=1S/C25H30F2N2O4S/c1-34(32,33)16-25(31)28(15-22-23(26)6-3-7-24(22)27)10-11-29-19-8-9-20(29)13-18(12-19)17-4-2-5-21(30)14-17/h2-7,14,18-20,30H,8-13,15-16H2,1H3/t18-,19+,20-
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| InChIKey |
TWLFOSQKXNZYQG-ACDBMABISA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor