General Information of the Compound
| Compound ID |
CP0858355
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| Compound Name |
4-Methylcarbamoyl-benzenesulfonic acid 2-methoxy-4-(2-nitro-propenyl)-phenyl ester
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| Structure |
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| Formula |
C18H18N2O7S
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| Molecular Weight |
406.416
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| Canonical SMILES |
CNC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C(\C)[N+](=O)[O-])cc2OC)cc1
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| InChI |
InChI=1S/C18H18N2O7S/c1-12(20(22)23)10-13-4-9-16(17(11-13)26-3)27-28(24,25)15-7-5-14(6-8-15)18(21)19-2/h4-11H,1-3H3,(H,19,21)/b12-10+
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| InChIKey |
DOKRANQLTWADFN-ZRDIBKRKSA-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