General Information of the Compound
| Compound ID |
CP0380128
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| Compound Name |
5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C16H14N2O5S
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| Molecular Weight |
346.364
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)C(O)=O)c1C
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| InChI |
InChI=1S/C16H14N2O5S/c1-9-10(2)17-23-15(9)18-24(21,22)14-8-4-5-11-12(14)6-3-7-13(11)16(19)20/h3-8,18H,1-2H3,(H,19,20)
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| InChIKey |
XZVLKLYTZGMQQJ-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: PT01372, Endothelin-1 receptor
Protein ID: PT01785, Endothelin-1 receptor