General Information of the Compound
| Compound ID |
CP0391909
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (4-hydroxy-2-methyl-phenyl)-amide
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| Structure |
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| Formula |
C22H22ClN3O4S
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| Molecular Weight |
459.955
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| Canonical SMILES |
Cc1cc(O)ccc1NC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O
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| InChI |
InChI=1S/C22H22ClN3O4S/c1-13-10-16(27)3-4-17(13)24-21(29)14-6-8-25(9-7-14)20(28)12-26-18-11-15(23)2-5-19(18)31-22(26)30/h2-5,10-11,14,27H,6-9,12H2,1H3,(H,24,29)
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| InChIKey |
YMSBITAGGXNXOP-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