General Information of the Compound
| Compound ID |
CP0045061
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| Compound Name |
2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-2-methyl-propionic acid
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| Structure |
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| Formula |
C29H26F3NO6
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| Molecular Weight |
541.522
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| Canonical SMILES |
COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OC(C)(C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
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| InChI |
InChI=1S/C29H26F3NO6/c1-17-23(15-18-6-5-7-21(14-18)38-28(2,3)27(35)36)24-16-22(39-29(30,31)32)12-13-25(24)33(17)26(34)19-8-10-20(37-4)11-9-19/h5-14,16H,15H2,1-4H3,(H,35,36)
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| InChIKey |
WTIUDROYDYCRCV-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