General Information of the Compound
| Compound ID |
CP0421504
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| Compound Name |
5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-morpholin-4-yl-6-[2-(thiophene-2-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide
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| Structure |
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| Formula |
C27H30N6O8S3
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| Molecular Weight |
662.772
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCNS(=O)(=O)c1cccs1)N1CCOCC1
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| InChI |
InChI=1S/C27H30N6O8S3/c1-19-9-10-22(28-18-19)43(34,35)32-25-24(41-21-7-4-3-6-20(21)38-2)26(31-27(30-25)33-12-15-39-16-13-33)40-14-11-29-44(36,37)23-8-5-17-42-23/h3-10,17-18,29H,11-16H2,1-2H3,(H,30,31,32)
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| InChIKey |
JGEXEIBPRHWMSL-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