General Information of the Compound
| Compound ID |
CP0460880
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (3-benzoyl-phenyl)-amide
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| Structure |
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| Formula |
C28H24ClN3O4S
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| Molecular Weight |
534.037
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| Canonical SMILES |
Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3cccc(c3)C(=O)c3ccccc3)c2c1
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| InChI |
InChI=1S/C28H24ClN3O4S/c29-21-9-10-24-23(16-21)32(28(36)37-24)17-25(33)31-13-11-19(12-14-31)27(35)30-22-8-4-7-20(15-22)26(34)18-5-2-1-3-6-18/h1-10,15-16,19H,11-14,17H2,(H,30,35)
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| InChIKey |
HAXTWSLYVYTHHK-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