General Information of the Compound
| Compound ID |
CP0460977
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| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C23H20BrClN6O4S
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| Molecular Weight |
591.875
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
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| InChI |
InChI=1S/C23H20BrClN6O4S/c24-18-13-26-23(27-14-18)35-11-10-34-22-20(17-6-8-19(25)9-7-17)21(28-15-29-22)31-36(32,33)30-12-16-4-2-1-3-5-16/h1-9,13-15,30H,10-12H2,(H,28,29,31)
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| InChIKey |
RULBFQDDCRBSBY-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