General Information of the Compound
| Compound ID |
CP0510895
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| Compound Name |
4-tert-Butylcarbamoyl-benzenesulfonic acid 4-(2-nitro-vinyl)-phenyl ester
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| Structure |
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| Formula |
C19H20N2O6S
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| Molecular Weight |
404.444
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C19H20N2O6S/c1-19(2,3)20-18(22)15-6-10-17(11-7-15)28(25,26)27-16-8-4-14(5-9-16)12-13-21(23)24/h4-13H,1-3H3,(H,20,22)/b13-12+
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| InChIKey |
IEZHNBSSJDTKIY-OUKQBFOZSA-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