General Information of the Compound
| Compound ID |
CP0430119
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (3-acetyl-phenyl)-amide
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| Structure |
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| Formula |
C23H22ClN3O4S
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| Molecular Weight |
471.966
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)c1
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| InChI |
InChI=1S/C23H22ClN3O4S/c1-14(28)16-3-2-4-18(11-16)25-22(30)15-7-9-26(10-8-15)21(29)13-27-19-12-17(24)5-6-20(19)32-23(27)31/h2-6,11-12,15H,7-10,13H2,1H3,(H,25,30)
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| InChIKey |
LNGLXMMBHKJCTE-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