General Information of the Compound
| Compound ID |
CP0420943
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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-methylsulfonylacetamide
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| Structure |
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| Formula |
C33H40N4O6S
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| Molecular Weight |
620.772
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| Canonical SMILES |
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(C)(=O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C33H40N4O6S/c1-7-10-23-15-22(18-37-28(9-3)35-29-20(4)14-21(5)34-32(29)37)16-24(11-8-2)30(23)43-31(33(38)36-44(6,39)40)25-12-13-26-27(17-25)42-19-41-26/h12-17,31H,7-11,18-19H2,1-6H3,(H,36,38)
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| InChIKey |
BZNIKCMSWPBYNN-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