General Information of the Compound
| Compound ID |
CP0430986
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| Compound Name |
Benzo[1,3]dioxol-5-yl-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2-propyl-phenoxy]-acetic acid
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| Structure |
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| Formula |
C29H31N3O5
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| Molecular Weight |
501.583
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| Canonical SMILES |
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H31N3O5/c1-5-7-20-13-19(15-32-25(6-2)31-26-17(3)12-18(4)30-28(26)32)8-10-22(20)37-27(29(33)34)21-9-11-23-24(14-21)36-16-35-23/h8-14,27H,5-7,15-16H2,1-4H3,(H,33,34)
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| InChIKey |
CLHVJDANODTXIQ-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor