General Information of the Compound
| Compound ID |
CP0453938
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| Compound Name |
N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C18H19N5O6S
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| Molecular Weight |
433.446
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(C)(=O)=O)nc(nc1OCCO)-c1ncccn1
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| InChI |
InChI=1S/C18H19N5O6S/c1-27-12-6-3-4-7-13(12)29-14-15(23-30(2,25)26)21-17(16-19-8-5-9-20-16)22-18(14)28-11-10-24/h3-9,24H,10-11H2,1-2H3,(H,21,22,23)
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| InChIKey |
KKURJWQDVAUNQC-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