General Information of the Compound
| Compound ID |
CP0453962
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| Compound Name |
N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]morpholine-4-sulfonamide
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| Structure |
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| Formula |
C20H20Br2N6O5S
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| Molecular Weight |
616.292
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| Canonical SMILES |
Brc1ccc(cc1)-c1c(NS(=O)(=O)N2CCOCC2)ncnc1OCCOc1ncc(Br)cn1
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| InChI |
InChI=1S/C20H20Br2N6O5S/c21-15-3-1-14(2-4-15)17-18(27-34(29,30)28-5-7-31-8-6-28)25-13-26-19(17)32-9-10-33-20-23-11-16(22)12-24-20/h1-4,11-13H,5-10H2,(H,25,26,27)
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| InChIKey |
XCUHHFLCIVGCRF-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