General Information of the Compound
| Compound ID |
CP0500243
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-N-(4-propan-2-ylphenyl)sulfonylacetamide
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| Structure |
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| Formula |
C41H48N4O6S
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| Molecular Weight |
724.924
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| Canonical SMILES |
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C41H48N4O6S/c1-8-11-30-20-28(23-45-36(10-3)43-37-26(6)19-27(7)42-40(37)45)21-31(12-9-2)38(30)51-39(32-15-18-34-35(22-32)50-24-49-34)41(46)44-52(47,48)33-16-13-29(14-17-33)25(4)5/h13-22,25,39H,8-12,23-24H2,1-7H3,(H,44,46)
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| InChIKey |
XSNGSCKESCFFDT-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