General Information of the Compound
| Compound ID |
CP0080155
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| Compound Name |
2-{3-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-ylmethyl]-phenoxy}-2-methyl-propionic acid
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| Structure |
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| Formula |
C28H26ClNO5
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| Molecular Weight |
491.971
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(OC(C)(C)C(O)=O)c3)c2c1
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| InChI |
InChI=1S/C28H26ClNO5/c1-17-23(15-18-6-5-7-22(14-18)35-28(2,3)27(32)33)24-16-21(34-4)12-13-25(24)30(17)26(31)19-8-10-20(29)11-9-19/h5-14,16H,15H2,1-4H3,(H,32,33)
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| InChIKey |
NJQKVYQTUIWJEQ-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