General Information of the Compound
| Compound ID |
CP0508058
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-2-[(1-Methyl-1H-imidazol-4-yl)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 |
C21H28N4O4S
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| Molecular Weight |
432.546
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| Canonical SMILES |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(C3)S(=O)(=O)c2cn(C)cn2)cc1
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| InChI |
InChI=1S/C21H28N4O4S/c1-14(2)29-17-7-5-16(6-8-17)23-21(26)18-10-15-4-9-19(18)25(11-15)30(27,28)20-12-24(3)13-22-20/h5-8,12-15,18-19H,4,9-11H2,1-3H3,(H,23,26)/t15-,18+,19-/m0/s1
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| InChIKey |
QSCFUZBKDKOVCC-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