General Information of the Compound
| Compound ID |
CP0514136
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| Compound Name |
4-tert-Butyl-N-[5-(4-hydroxy-butyl)-4-(3-methoxy-phenylsulfanyl)-isoxazol-3-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C24H30N2O5S2
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| Molecular Weight |
490.647
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| Canonical SMILES |
COc1cccc(Sc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)noc2CCCCO)c1
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| InChI |
InChI=1S/C24H30N2O5S2/c1-24(2,3)17-11-13-20(14-12-17)33(28,29)26-23-22(21(31-25-23)10-5-6-15-27)32-19-9-7-8-18(16-19)30-4/h7-9,11-14,16,27H,5-6,10,15H2,1-4H3,(H,25,26)
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| InChIKey |
RNSWGFNUSUASAC-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