General Information of the Compound
| Compound ID |
CP0402103
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| Compound Name |
4-tert-Butyl-N-[2-cyclopropyl-6-(2-ethanesulfonylamino-ethoxy)-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C28H36N4O7S2
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| Molecular Weight |
604.751
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| Canonical SMILES |
CCS(=O)(=O)NCCOc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC)C1CC1
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| InChI |
InChI=1S/C28H36N4O7S2/c1-6-40(33,34)29-17-18-38-27-24(39-23-10-8-7-9-22(23)37-5)26(30-25(31-27)19-11-12-19)32-41(35,36)21-15-13-20(14-16-21)28(2,3)4/h7-10,13-16,19,29H,6,11-12,17-18H2,1-5H3,(H,30,31,32)
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| InChIKey |
CHLXSJALJVYDID-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