General Information of the Compound
| Compound ID |
CP0460857
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| Compound Name |
4-[4-(tert-butyl)phenylsulfonamido]-2-cyclopropyl-5-(2-methoxyphenoxy)-6-[2-(4-methylphenylsulfonamido)ethoxy]pyrimidine
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| Structure |
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| Formula |
C33H38N4O7S2
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| Molecular Weight |
666.822
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCNS(=O)(=O)c1ccc(C)cc1)C1CC1
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| InChI |
InChI=1S/C33H38N4O7S2/c1-22-10-16-25(17-11-22)45(38,39)34-20-21-43-32-29(44-28-9-7-6-8-27(28)42-5)31(35-30(36-32)23-12-13-23)37-46(40,41)26-18-14-24(15-19-26)33(2,3)4/h6-11,14-19,23,34H,12-13,20-21H2,1-5H3,(H,35,36,37)
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| InChIKey |
YIAMEKMEHNLSQG-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