General Information of the Compound
| Compound ID |
CP0486334
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (5-chloro-benzooxazol-2-yl)-amide
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| Structure |
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| Formula |
C22H18Cl2N4O4S
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| Molecular Weight |
505.383
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| Canonical SMILES |
Clc1ccc2oc(NC(=O)C3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)nc2c1
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| InChI |
InChI=1S/C22H18Cl2N4O4S/c23-13-1-3-17-15(9-13)25-21(32-17)26-20(30)12-5-7-27(8-6-12)19(29)11-28-16-10-14(24)2-4-18(16)33-22(28)31/h1-4,9-10,12H,5-8,11H2,(H,25,26,30)
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| InChIKey |
DJQFBLOFWHNKRY-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