General Information of the Compound
| Compound ID |
CP0045059
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| Compound Name |
2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-pentanoic acid
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| Structure |
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| Formula |
C30H28F3NO6
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| Molecular Weight |
555.549
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| Canonical SMILES |
CCCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
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| InChI |
InChI=1S/C30H28F3NO6/c1-4-6-27(29(36)37)39-22-8-5-7-19(15-22)16-24-18(2)34(28(35)20-9-11-21(38-3)12-10-20)26-14-13-23(17-25(24)26)40-30(31,32)33/h5,7-15,17,27H,4,6,16H2,1-3H3,(H,36,37)
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| InChIKey |
UNNWWBCMUJHNAH-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