General Information of the Compound
| Compound ID |
CP0457278
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| Compound Name |
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylbenzamide
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| Structure |
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| Formula |
C29H26N4O5S
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| Molecular Weight |
542.617
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| Canonical SMILES |
CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C29H26N4O5S/c1-19-20(2)31-38-27(19)32-39(35,36)26-12-8-7-11-25(26)24-14-13-22(28-30-15-16-37-28)17-23(24)18-33(3)29(34)21-9-5-4-6-10-21/h4-17,32H,18H2,1-3H3
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| InChIKey |
KMOYVJSVLLXFQU-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