General Information of the Compound
| Compound ID |
CP0435970
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| Compound Name |
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C20H22Br2N6O4S
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| Molecular Weight |
602.309
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| Canonical SMILES |
CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
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| InChI |
InChI=1S/C20H22Br2N6O4S/c1-2-3-8-27-33(29,30)28-18-17(14-4-6-15(21)7-5-14)19(26-13-25-18)31-9-10-32-20-23-11-16(22)12-24-20/h4-7,11-13,27H,2-3,8-10H2,1H3,(H,25,26,28)
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| InChIKey |
FAYAMAAFPRXGJT-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