General Information of the Compound
| Compound ID |
CP0435966
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| Compound Name |
6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)-N-(propylsulfamoyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C20H22BrClN6O6S
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| Molecular Weight |
589.856
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| Canonical SMILES |
CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1Oc1cc(OC)ccc1Cl
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| InChI |
InChI=1S/C20H22BrClN6O6S/c1-3-6-27-35(29,30)28-18-17(34-16-9-14(31-2)4-5-15(16)22)19(26-12-25-18)32-7-8-33-20-23-10-13(21)11-24-20/h4-5,9-12,27H,3,6-8H2,1-2H3,(H,25,26,28)
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| InChIKey |
FYDHNMUVDRWWCO-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