General Information of the Compound
| Compound ID |
CP0453937
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| Compound Name |
N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C22H21N7O6S
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| Molecular Weight |
511.52
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(C)(=O)=O)nc(nc1OCCOc1ncccn1)-c1ncccn1
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| InChI |
InChI=1S/C22H21N7O6S/c1-32-15-7-3-4-8-16(15)35-17-18(29-36(2,30)31)27-20(19-23-9-5-10-24-19)28-21(17)33-13-14-34-22-25-11-6-12-26-22/h3-12H,13-14H2,1-2H3,(H,27,28,29)
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| InChIKey |
SNBHOBPELVBJFV-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