General Information of the Compound
| Compound ID |
CP0547785
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| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine
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| Structure |
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| Formula |
C27H27BrN6O6S
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| Molecular Weight |
643.52
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)C1CC1
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| InChI |
InChI=1S/C27H27BrN6O6S/c1-37-21-9-5-6-10-22(21)40-23-25(34-41(35,36)31-15-18-7-3-2-4-8-18)32-24(19-11-12-19)33-26(23)38-13-14-39-27-29-16-20(28)17-30-27/h2-10,16-17,19,31H,11-15H2,1H3,(H,32,33,34)
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| InChIKey |
FFMVLDUPAMRSND-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