General Information of the Compound
| Compound ID |
CP0401057
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (4-fluoro-3-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C22H18ClF4N3O3S
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| Molecular Weight |
515.916
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| Canonical SMILES |
Fc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H18ClF4N3O3S/c23-13-1-4-18-17(9-13)30(21(33)34-18)11-19(31)29-7-5-12(6-8-29)20(32)28-14-2-3-16(24)15(10-14)22(25,26)27/h1-4,9-10,12H,5-8,11H2,(H,28,32)
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| InChIKey |
BLHGNTABHNCNRQ-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