General Information of the Compound
| Compound ID |
CP0375462
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| Compound Name |
5-Amino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C15H15N3O3S
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| Molecular Weight |
317.37
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2cccc3c(N)cccc23)c1C
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| InChI |
InChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)16/h3-8,18H,16H2,1-2H3
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| InChIKey |
ZROYYHDKAAJDKF-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