General Information of the Compound
| Compound ID |
CP0397854
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| Compound Name |
4-tert-Butyl-N-[4-(3-methoxy-phenylsulfanyl)-5-methyl-isoxazol-3-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C21H24N2O4S2
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| Molecular Weight |
432.567
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| Canonical SMILES |
COc1cccc(Sc2c(C)onc2NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
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| InChI |
InChI=1S/C21H24N2O4S2/c1-14-19(28-17-8-6-7-16(13-17)26-5)20(22-27-14)23-29(24,25)18-11-9-15(10-12-18)21(2,3)4/h6-13H,1-5H3,(H,22,23)
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| InChIKey |
KLFINGCZCPDXNB-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: PT01885, Endothelin receptor type B
Protein ID: PT01785, Endothelin-1 receptor