General Information of the Compound
| Compound ID |
CP0508056
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-N-[4-(Propan-2-yloxy)phenyl]-2-(thiophen-2-ylsulfonyl)-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C21H26N2O4S2
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| Molecular Weight |
434.583
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| Canonical SMILES |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(C3)S(=O)(=O)c2cccs2)cc1
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| InChI |
InChI=1S/C21H26N2O4S2/c1-14(2)27-17-8-6-16(7-9-17)22-21(24)18-12-15-5-10-19(18)23(13-15)29(25,26)20-4-3-11-28-20/h3-4,6-9,11,14-15,18-19H,5,10,12-13H2,1-2H3,(H,22,24)/t15-,18+,19-/m0/s1
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| InChIKey |
HFTQYJMWGLHXEF-IPELMVKDSA-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