General Information of the Compound
| Compound ID |
CP0454669
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| Compound Name |
5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-morpholin-4-yl-6-[2-(propane-1-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide
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| Structure |
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| Formula |
C26H34N6O8S2
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| Molecular Weight |
622.726
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1nc(nc(NS(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC)N1CCOCC1
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| InChI |
InChI=1S/C26H34N6O8S2/c1-4-17-41(33,34)28-11-14-39-25-23(40-21-8-6-5-7-20(21)37-3)24(29-26(30-25)32-12-15-38-16-13-32)31-42(35,36)22-10-9-19(2)18-27-22/h5-10,18,28H,4,11-17H2,1-3H3,(H,29,30,31)
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| InChIKey |
KZOKREKJZZEWAD-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