General Information of the Compound
| Compound ID |
CP0463683
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C27H24ClN3O4S
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| Molecular Weight |
522.026
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| Canonical SMILES |
Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1
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| InChI |
InChI=1S/C27H24ClN3O4S/c28-19-6-11-24-23(16-19)31(27(34)36-24)17-25(32)30-14-12-18(13-15-30)26(33)29-20-7-9-22(10-8-20)35-21-4-2-1-3-5-21/h1-11,16,18H,12-15,17H2,(H,29,33)
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| InChIKey |
MTXYJKOTMPLZGB-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