General Information of the Compound
| Compound ID |
CP0375923
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| Compound Name |
5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy-but-2-ynyloxy)-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yl]-amide
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| Structure |
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| Formula |
C27H31N5O7S
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| Molecular Weight |
569.64
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)N1CCOCC1
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| InChI |
InChI=1S/C27H31N5O7S/c1-19(2)20-10-11-23(28-18-20)40(34,35)31-25-24(39-22-9-5-4-8-21(22)36-3)26(38-15-7-6-14-33)30-27(29-25)32-12-16-37-17-13-32/h4-5,8-11,18-19,33H,12-17H2,1-3H3,(H,29,30,31)
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| InChIKey |
DUZPNAKTFLDXQA-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