General Information of the Compound
| Compound ID |
CP0448557
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| Compound Name |
4-tert-Butyl-N-[6-(3-ethanesulfonylamino-propoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C30H36N6O7S2
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| Molecular Weight |
656.787
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| Canonical SMILES |
CCS(=O)(=O)NCCCOc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC)-c1ncccn1
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| InChI |
InChI=1S/C30H36N6O7S2/c1-6-44(37,38)33-19-10-20-42-29-25(43-24-12-8-7-11-23(24)41-5)26(34-28(35-29)27-31-17-9-18-32-27)36-45(39,40)22-15-13-21(14-16-22)30(2,3)4/h7-9,11-18,33H,6,10,19-20H2,1-5H3,(H,34,35,36)
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| InChIKey |
ZFISXVCGLSYRRJ-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