General Information of the Compound
| Compound ID |
CP0501476
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| Compound Name |
4,5-Dihydro-thieno[3',2':3,4]benzo[1,2-d]isoxazole-3-carboxylic acid [2-(2-methyl-piperidin-1-yl)-ethyl]-amide
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| Structure |
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| Formula |
C18H23N3O2S
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| Molecular Weight |
345.468
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| Canonical SMILES |
CC1CCCCN1CCNC(=O)c1noc-2c1CCc1sccc-21
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| InChI |
InChI=1S/C18H23N3O2S/c1-12-4-2-3-9-21(12)10-8-19-18(22)16-14-5-6-15-13(7-11-24-15)17(14)23-20-16/h7,11-12H,2-6,8-10H2,1H3,(H,19,22)
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| InChIKey |
RWJVDLIHVQECPX-UHFFFAOYSA-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