General Information of the Compound
| Compound ID |
CP0447933
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-2-(Butylsulfonyl)-N-[4-(propan-2-yloxy)phenyl]-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C21H32N2O4S
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| Molecular Weight |
408.564
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| Canonical SMILES |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](C2)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C21H32N2O4S/c1-4-5-12-28(25,26)23-14-16-6-11-20(23)19(13-16)21(24)22-17-7-9-18(10-8-17)27-15(2)3/h7-10,15-16,19-20H,4-6,11-14H2,1-3H3,(H,22,24)/t16-,19+,20-/m0/s1
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| InChIKey |
UYKMJJNZWQGCII-DBVUQKKJSA-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