General Information of the Compound
| Compound ID |
CP0482381
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| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-propan-2-ylphenyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C26H27BrN6O4S
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| Molecular Weight |
599.511
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
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| InChI |
InChI=1S/C26H27BrN6O4S/c1-18(2)20-8-10-21(11-9-20)23-24(33-38(34,35)32-14-19-6-4-3-5-7-19)30-17-31-25(23)36-12-13-37-26-28-15-22(27)16-29-26/h3-11,15-18,32H,12-14H2,1-2H3,(H,30,31,33)
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| InChIKey |
YBMIXYLICGEZNV-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