General Information of the Compound
| Compound ID |
CP0460979
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| Compound Name |
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-1-phenylmethanesulfonamide
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| Structure |
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| Formula |
C28H24BrN7O6S
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| Molecular Weight |
666.514
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)Cc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)-c1ncccn1
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| InChI |
InChI=1S/C28H24BrN7O6S/c1-39-21-10-5-6-11-22(21)42-23-24(36-43(37,38)18-19-8-3-2-4-9-19)34-26(25-30-12-7-13-31-25)35-27(23)40-14-15-41-28-32-16-20(29)17-33-28/h2-13,16-17H,14-15,18H2,1H3,(H,34,35,36)
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| InChIKey |
CUPYKYWQFHCUJZ-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