General Information of the Compound
| Compound ID |
CP0522256
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| Compound Name |
4-[4-(tert-butyl)phenylsulfonamido]-5-(2-methoxyphenoxy)-6-[2-(4-methylphenylsulfonamido)ethoxy]-2-(2-pyrimidinyl)pyrimidine
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| Structure |
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| Formula |
C34H36N6O7S2
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| Molecular Weight |
704.831
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCNS(=O)(=O)c1ccc(C)cc1)-c1ncccn1
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| InChI |
InChI=1S/C34H36N6O7S2/c1-23-11-15-25(16-12-23)48(41,42)37-21-22-46-33-29(47-28-10-7-6-9-27(28)45-5)30(38-32(39-33)31-35-19-8-20-36-31)40-49(43,44)26-17-13-24(14-18-26)34(2,3)4/h6-20,37H,21-22H2,1-5H3,(H,38,39,40)
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| InChIKey |
YAEHNRUZTLQGFP-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