General Information of the Compound
| Compound ID |
CP0430885
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| Compound Name |
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-3-phenylpropane-1-sulfonamide
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| Structure |
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| Formula |
C30H28BrN7O6S
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| Molecular Weight |
694.568
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)CCCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)-c1ncccn1
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| InChI |
InChI=1S/C30H28BrN7O6S/c1-41-23-12-5-6-13-24(23)44-25-26(38-45(39,40)18-7-11-21-9-3-2-4-10-21)36-28(27-32-14-8-15-33-27)37-29(25)42-16-17-43-30-34-19-22(31)20-35-30/h2-6,8-10,12-15,19-20H,7,11,16-18H2,1H3,(H,36,37,38)
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| InChIKey |
MHNJEAOUFUNYKE-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