General Information of the Compound
| Compound ID |
CP0486691
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| Compound Name |
N-[6-[2-(5-chloropyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
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| Structure |
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| Formula |
C29H26ClN7O6S
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| Molecular Weight |
636.09
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(nc1OCCOc1ncc(Cl)cn1)-c1ncccn1
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| InChI |
InChI=1S/C29H26ClN7O6S/c1-40-22-10-5-6-11-23(22)43-24-25(37-44(38,39)17-12-20-8-3-2-4-9-20)35-27(26-31-13-7-14-32-26)36-28(24)41-15-16-42-29-33-18-21(30)19-34-29/h2-11,13-14,18-19H,12,15-17H2,1H3,(H,35,36,37)
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| InChIKey |
RJXHHVXIVAHBHS-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