General Information of the Compound
| Compound ID |
CP0507042
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| Compound Name |
2-chloro-5-[3-[(2-methyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C22H16ClNO4S
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| Molecular Weight |
425.893
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| Canonical SMILES |
Cn1sc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2c1=O
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| InChI |
InChI=1S/C22H16ClNO4S/c1-24-21(25)17-7-6-16(11-20(17)29-24)28-12-13-3-2-4-14(9-13)15-5-8-19(23)18(10-15)22(26)27/h2-11H,12H2,1H3,(H,26,27)
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| InChIKey |
VIRLOSITWBFZTC-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