General Information of the Compound
| Compound ID |
CP0477081
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| Compound Name |
N-[5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
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| Structure |
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| Formula |
C30H29N7O6S2
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| Molecular Weight |
647.739
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(nc1OCCOc1ncc(SC)cn1)-c1ncccn1
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| InChI |
InChI=1S/C30H29N7O6S2/c1-40-23-11-6-7-12-24(23)43-25-26(37-45(38,39)18-13-21-9-4-3-5-10-21)35-28(27-31-14-8-15-32-27)36-29(25)41-16-17-42-30-33-19-22(44-2)20-34-30/h3-12,14-15,19-20H,13,16-18H2,1-2H3,(H,35,36,37)
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| InChIKey |
JOBIZVVLDQEHKD-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