General Information of the Compound
| Compound ID |
CP0501127
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| Compound Name |
5-Methyl-pyridine-2-sulfonic acid [6-(2-ethanesulfonylamino-ethoxy)-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-amide
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| Structure |
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| Formula |
C26H28N6O7S2
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| Molecular Weight |
600.679
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| Canonical SMILES |
CCS(=O)(=O)NCCOc1nc(nc(NS(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC)-c1ccncc1
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| InChI |
InChI=1S/C26H28N6O7S2/c1-4-40(33,34)29-15-16-38-26-23(39-21-8-6-5-7-20(21)37-3)25(30-24(31-26)19-11-13-27-14-12-19)32-41(35,36)22-10-9-18(2)17-28-22/h5-14,17,29H,4,15-16H2,1-3H3,(H,30,31,32)
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| InChIKey |
KPQBEJDBDRNENR-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