General Information of the Compound
| Compound ID |
CP0430884
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| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-ethylphenyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C25H25BrN6O4S
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| Molecular Weight |
585.484
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| Canonical SMILES |
CCc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
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| InChI |
InChI=1S/C25H25BrN6O4S/c1-2-18-8-10-20(11-9-18)22-23(32-37(33,34)31-14-19-6-4-3-5-7-19)29-17-30-24(22)35-12-13-36-25-27-15-21(26)16-28-25/h3-11,15-17,31H,2,12-14H2,1H3,(H,29,30,32)
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| InChIKey |
DTSHFCFWFUAWDU-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