General Information of the Compound
| Compound ID |
CP0490210
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| Compound Name |
5-Methyl-pyridine-2-sulfonic acid [5-(2-methoxy-phenoxy)-6-[2-(thiophene-2-sulfonylamino)-ethoxy]-2-(3,4,5-trimethoxy-phenyl)-pyrimidin-4-yl]-amide
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| Structure |
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| Formula |
C32H33N5O10S3
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| Molecular Weight |
743.842
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCNS(=O)(=O)c1cccs1)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C32H33N5O10S3/c1-20-12-13-26(33-19-20)49(38,39)37-31-29(47-23-10-7-6-9-22(23)42-2)32(46-15-14-34-50(40,41)27-11-8-16-48-27)36-30(35-31)21-17-24(43-3)28(45-5)25(18-21)44-4/h6-13,16-19,34H,14-15H2,1-5H3,(H,35,36,37)
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| InChIKey |
GBJIVPGNFQWBRC-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