General Information of the Compound
| Compound ID |
CP0446095
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| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-(2-methoxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-amine
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| Structure |
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| Formula |
C27H29BrN6O8S
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| Molecular Weight |
677.534
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| Canonical SMILES |
COCCOc1nc(NS(=O)(=O)NCc2ccccc2)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1
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| InChI |
InChI=1S/C27H29BrN6O8S/c1-37-12-13-41-27-32-24(34-43(35,36)31-16-19-8-4-3-5-9-19)23(42-22-11-7-6-10-21(22)38-2)25(33-27)39-14-15-40-26-29-17-20(28)18-30-26/h3-11,17-18,31H,12-16H2,1-2H3,(H,32,33,34)
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| InChIKey |
VIVHYWNEMYNSTR-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