General Information of the Compound
| Compound ID |
CP0509793
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-2-[(4-tert-Butylphenyl)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 |
C27H36N2O4S
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| Molecular Weight |
484.662
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| Canonical SMILES |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C27H36N2O4S/c1-18(2)33-22-11-9-21(10-12-22)28-26(30)24-16-19-6-15-25(24)29(17-19)34(31,32)23-13-7-20(8-14-23)27(3,4)5/h7-14,18-19,24-25H,6,15-17H2,1-5H3,(H,28,30)/t19-,24+,25-/m0/s1
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| InChIKey |
UVTSMKDDPOXVGV-OWAUWMPXSA-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