General Information of the Compound
| Compound ID |
CP0534131
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| Compound Name |
2-chloro-5-[3-[[2-(3-methylbutyl)-3-oxo-1,2-benzothiazol-6-yl]oxymethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C26H24ClNO4S
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| Molecular Weight |
482.001
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| Canonical SMILES |
CC(C)CCn1sc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2c1=O
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| InChI |
InChI=1S/C26H24ClNO4S/c1-16(2)10-11-28-25(29)21-8-7-20(14-24(21)33-28)32-15-17-4-3-5-18(12-17)19-6-9-23(27)22(13-19)26(30)31/h3-9,12-14,16H,10-11,15H2,1-2H3,(H,30,31)
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| InChIKey |
JUSYYLGFTXAHLX-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