General Information of the Compound
| Compound ID |
CP0405736
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| Compound Name |
5-Methyl-pyridine-2-sulfonic acid [5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-2-pyridin-4-yl-pyrimidin-4-yl]-amide
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| Structure |
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| Formula |
C25H21N5O5S
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| Molecular Weight |
503.54
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccncc1
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| InChI |
InChI=1S/C25H21N5O5S/c1-4-15-34-25-22(35-20-8-6-5-7-19(20)33-3)24(28-23(29-25)18-11-13-26-14-12-18)30-36(31,32)21-10-9-17(2)16-27-21/h1,5-14,16H,15H2,2-3H3,(H,28,29,30)
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| InChIKey |
CSKOXMVENMNMHJ-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