General Information of the Compound
| Compound ID |
CP0453703
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| Compound Name |
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylsulfamoyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C19H18Br2N6O4S
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| Molecular Weight |
586.266
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| Canonical SMILES |
Brc1ccc(cc1)-c1c(NS(=O)(=O)NC2CC2)ncnc1OCCOc1ncc(Br)cn1
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| InChI |
InChI=1S/C19H18Br2N6O4S/c20-13-3-1-12(2-4-13)16-17(27-32(28,29)26-15-5-6-15)24-11-25-18(16)30-7-8-31-19-22-9-14(21)10-23-19/h1-4,9-11,15,26H,5-8H2,(H,24,25,27)
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| InChIKey |
LKOLDYBWXOYQMQ-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