General Information of the Compound
| Compound ID |
CP0538965
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| Compound Name |
5-Methyl-pyridine-2-sulfonic acid {2-cyclopropyl-5-(2-methoxy-phenoxy)-6-[2-(thiophene-2-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide
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| Structure |
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| Formula |
C26H27N5O7S3
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| Molecular Weight |
617.731
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCNS(=O)(=O)c1cccs1)C1CC1
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| InChI |
InChI=1S/C26H27N5O7S3/c1-17-9-12-21(27-16-17)40(32,33)31-25-23(38-20-7-4-3-6-19(20)36-2)26(30-24(29-25)18-10-11-18)37-14-13-28-41(34,35)22-8-5-15-39-22/h3-9,12,15-16,18,28H,10-11,13-14H2,1-2H3,(H,29,30,31)
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| InChIKey |
DVFAKRYNGZKIPA-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