General Information of the Compound
| Compound ID |
CP0453219
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| Compound Name |
2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-propylphenoxy]-2-phenylacetic acid
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| Structure |
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| Formula |
C28H31N3O3
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| Molecular Weight |
457.574
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| Canonical SMILES |
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C28H31N3O3/c1-5-10-22-16-20(13-14-23(22)34-26(28(32)33)21-11-8-7-9-12-21)17-31-24(6-2)30-25-18(3)15-19(4)29-27(25)31/h7-9,11-16,26H,5-6,10,17H2,1-4H3,(H,32,33)
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| InChIKey |
IFUYEJOQMQZCAE-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