General Information of the Compound
| Compound ID |
CP0535255
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| Compound Name |
4-tert-Butyl-N-(4-iodo-5-methyl-isoxazol-3-yl)-benzenesulfonamide
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| Structure |
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| Formula |
C14H17IN2O3S
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| Molecular Weight |
420.272
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| Canonical SMILES |
Cc1onc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1I
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| InChI |
InChI=1S/C14H17IN2O3S/c1-9-12(15)13(16-20-9)17-21(18,19)11-7-5-10(6-8-11)14(2,3)4/h5-8H,1-4H3,(H,16,17)
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| InChIKey |
KVIUMIHQYWJWNQ-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