General Information of the Compound
| Compound ID |
CP0077943
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| Compound Name |
(2,5-Dibromo-3,4-dimethoxy-phenyl)-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-acetic acid
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| Structure |
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| Formula |
C33H39Br2N3O5
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| Molecular Weight |
717.499
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| Canonical SMILES |
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1cc(Br)c(OC)c(OC)c1Br
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| InChI |
InChI=1S/C33H39Br2N3O5/c1-8-11-21-14-20(17-38-25(10-3)37-27-18(4)13-19(5)36-32(27)38)15-22(12-9-2)28(21)43-29(33(39)40)23-16-24(34)30(41-6)31(42-7)26(23)35/h13-16,29H,8-12,17H2,1-7H3,(H,39,40)
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| InChIKey |
FJMSQNXGEWIXSJ-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