General Information of the Compound
| Compound ID |
CP0459205
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-2-[(3-Methoxyphenyl)sulfonyl]-N-[4-(propan-2-yloxy)phenyl]-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C24H30N2O5S
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| Molecular Weight |
458.58
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| Canonical SMILES |
COc1cccc(c1)S(=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/C24H30N2O5S/c1-16(2)31-19-10-8-18(9-11-19)25-24(27)22-13-17-7-12-23(22)26(15-17)32(28,29)21-6-4-5-20(14-21)30-3/h4-6,8-11,14,16-17,22-23H,7,12-13,15H2,1-3H3,(H,25,27)/t17-,22+,23-/m0/s1
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| InChIKey |
LJCUJDYUVSQAKW-IMRHEYAYSA-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