General Information of the Compound
| Compound ID |
CP0467200
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| Compound Name |
N-[4-(3,5-dioxohexyl)phenyl]-3-[2-[2-[2-[2-[methyl-[[5-(1,3-oxazol-2-yl)-2-[2-(1,2-oxazol-5-ylsulfamoyl)phenyl]phenyl]methyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]propanamide
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| Structure |
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| Formula |
C43H49N5O12S
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| Molecular Weight |
859.955
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| Canonical SMILES |
CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1ccno1)-c1ncco1)C(=O)COCCOCCOCCOCCC(=O)Nc1ccc(CCC(=O)CC(C)=O)cc1
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| InChI |
InChI=1S/C43H49N5O12S/c1-31(49)27-36(50)13-9-32-7-11-35(12-8-32)46-40(51)16-19-55-21-22-56-23-24-57-25-26-58-30-42(52)48(2)29-34-28-33(43-44-18-20-59-43)10-14-37(34)38-5-3-4-6-39(38)61(53,54)47-41-15-17-45-60-41/h3-8,10-12,14-15,17-18,20,28,47H,9,13,16,19,21-27,29-30H2,1-2H3,(H,46,51)
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| InChIKey |
VWSKYKKEFJUDNW-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