General Information of the Compound
| Compound ID |
CP0421545
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| Compound Name |
5-Methyl-pyridine-2-sulfonic acid {2-cyclopropyl-5-(2-methoxy-phenoxy)-6-[2-(propane-1-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide
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| Structure |
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| Formula |
C25H31N5O7S2
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| Molecular Weight |
577.685
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1nc(nc(NS(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC)C1CC1
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| InChI |
InChI=1S/C25H31N5O7S2/c1-4-15-38(31,32)27-13-14-36-25-22(37-20-8-6-5-7-19(20)35-3)24(28-23(29-25)18-10-11-18)30-39(33,34)21-12-9-17(2)16-26-21/h5-9,12,16,18,27H,4,10-11,13-15H2,1-3H3,(H,28,29,30)
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| InChIKey |
JTNMQFVZMZRTQJ-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