General Information of the Compound
| Compound ID |
CP0468276
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid phenylamide
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| Structure |
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| Formula |
C21H20ClN3O3S
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| Molecular Weight |
429.929
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| Canonical SMILES |
Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3ccccc3)c2c1
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| InChI |
InChI=1S/C21H20ClN3O3S/c22-15-6-7-18-17(12-15)25(21(28)29-18)13-19(26)24-10-8-14(9-11-24)20(27)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,27)
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| InChIKey |
DNWIFCXPIGFAFW-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