General Information of the Compound
| Compound ID |
CP0463294
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (6-methyl-benzothiazol-2-yl)-amide
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| Structure |
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| Formula |
C23H21ClN4O3S2
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| Molecular Weight |
501.033
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| Canonical SMILES |
Cc1ccc2nc(NC(=O)C3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)sc2c1
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| InChI |
InChI=1S/C23H21ClN4O3S2/c1-13-2-4-16-19(10-13)32-22(25-16)26-21(30)14-6-8-27(9-7-14)20(29)12-28-17-11-15(24)3-5-18(17)33-23(28)31/h2-5,10-11,14H,6-9,12H2,1H3,(H,25,26,30)
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| InChIKey |
KPLRITPOIQOBRM-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