General Information of the Compound
| Compound ID |
CP0395679
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| Compound Name |
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethanesulfonamide
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| Structure |
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| Formula |
C23H22BrN7O6S
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| Molecular Weight |
604.443
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| Canonical SMILES |
CCS(=O)(=O)Nc1nc(nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC)-c1ncccn1
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| InChI |
InChI=1S/C23H22BrN7O6S/c1-3-38(32,33)31-19-18(37-17-8-5-4-7-16(17)34-2)22(30-21(29-19)20-25-9-6-10-26-20)35-11-12-36-23-27-13-15(24)14-28-23/h4-10,13-14H,3,11-12H2,1-2H3,(H,29,30,31)
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| InChIKey |
CMPCSJBKUBWQGQ-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