General Information of the Compound
| Compound ID |
CP0486690
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| Compound Name |
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]propane-1-sulfonamide
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| Structure |
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| Formula |
C24H24BrN7O6S
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| Molecular Weight |
618.47
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| Canonical SMILES |
CCCS(=O)(=O)Nc1nc(nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC)-c1ncccn1
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| InChI |
InChI=1S/C24H24BrN7O6S/c1-3-13-39(33,34)32-20-19(38-18-8-5-4-7-17(18)35-2)23(31-22(30-20)21-26-9-6-10-27-21)36-11-12-37-24-28-14-16(25)15-29-24/h4-10,14-15H,3,11-13H2,1-2H3,(H,30,31,32)
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| InChIKey |
QLOACGMSZNOMDZ-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