General Information of the Compound
| Compound ID |
CP0547780
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| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-amine
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| Structure |
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| Formula |
C23H21BrN6O4S
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| Molecular Weight |
557.43
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| Canonical SMILES |
Brc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccccc3)c2-c2ccccc2)nc1
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| InChI |
InChI=1S/C23H21BrN6O4S/c24-19-14-25-23(26-15-19)34-12-11-33-22-20(18-9-5-2-6-10-18)21(27-16-28-22)30-35(31,32)29-13-17-7-3-1-4-8-17/h1-10,14-16,29H,11-13H2,(H,27,28,30)
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| InChIKey |
NECQSUNUSOOPMU-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