General Information of the Compound
| Compound ID |
CP0899541
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| Compound Name |
(4-{5-[1-Aza-bicyclo[2.2.2]oct-(3E)-ylidenemethyl]-isoxazol-3-yl}-phenyl)-carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C22H27N3O3
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| Molecular Weight |
381.476
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3/CN4CCC3CC4)on2)cc1
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| InChI |
InChI=1S/C22H27N3O3/c1-22(2,3)27-21(26)23-18-6-4-16(5-7-18)20-13-19(28-24-20)12-17-14-25-10-8-15(17)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,23,26)/b17-12-
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| InChIKey |
PWWIFONZRLYSFR-ATVHPVEESA-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