General Information of the Compound
| Compound ID |
CP0453934
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| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-amine
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| Structure |
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| Formula |
C25H25BrN6O7S
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| Molecular Weight |
633.481
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| Canonical SMILES |
COc1nc(NS(=O)(=O)NCc2ccccc2)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1
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| InChI |
InChI=1S/C25H25BrN6O7S/c1-35-19-10-6-7-11-20(19)39-21-22(32-40(33,34)29-14-17-8-4-3-5-9-17)30-25(36-2)31-23(21)37-12-13-38-24-27-15-18(26)16-28-24/h3-11,15-16,29H,12-14H2,1-2H3,(H,30,31,32)
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| InChIKey |
UDSNDBJKDSPRDS-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