General Information of the Compound
Compound ID |
CP0460792
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Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
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Structure |
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Formula |
C23H25ClN4O5S2
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Molecular Weight |
537.063
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Canonical SMILES |
NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1
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InChI |
InChI=1S/C23H25ClN4O5S2/c24-17-3-6-20-19(13-17)28(23(31)34-20)14-21(29)27-11-8-16(9-12-27)22(30)26-10-7-15-1-4-18(5-2-15)35(25,32)33/h1-6,13,16H,7-12,14H2,(H,26,30)(H2,25,32,33)
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InChIKey |
LCKHUMUNFDIGDU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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