General Information of the Compound
| Compound ID |
CP0430877
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| Compound Name |
N-[6-[2-(4,6-dimethoxypyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
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| Structure |
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| Formula |
C31H31N7O8S
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| Molecular Weight |
661.697
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| Canonical SMILES |
COc1cc(OC)nc(OCCOc2nc(nc(NS(=O)(=O)CCc3ccccc3)c2Oc2ccccc2OC)-c2ncccn2)n1
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| InChI |
InChI=1S/C31H31N7O8S/c1-41-22-12-7-8-13-23(22)46-26-27(38-47(39,40)19-14-21-10-5-4-6-11-21)36-29(28-32-15-9-16-33-28)37-30(26)44-17-18-45-31-34-24(42-2)20-25(35-31)43-3/h4-13,15-16,20H,14,17-19H2,1-3H3,(H,36,37,38)
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| InChIKey |
RUZZWMQTBLUKQJ-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