General Information of the Compound
| Compound ID |
CP0502398
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid [2-hydroxy-2-(6-methyl-pyridin-2-yl)-ethyl]-amide
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| Structure |
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| Formula |
C23H25ClN4O4S
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| Molecular Weight |
488.997
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| Canonical SMILES |
Cc1cccc(n1)C(O)CNC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O
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| InChI |
InChI=1S/C23H25ClN4O4S/c1-14-3-2-4-17(26-14)19(29)12-25-22(31)15-7-9-27(10-8-15)21(30)13-28-18-11-16(24)5-6-20(18)33-23(28)32/h2-6,11,15,19,29H,7-10,12-13H2,1H3,(H,25,31)
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| InChIKey |
BRTWAQQFMHMIDO-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