General Information of the Compound
| Compound ID |
CP0127890
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| Compound Name |
ethyl 6-[(2-chloro-4-fluorophenyl)-[(4-nitrophenyl)methoxycarbonyl]sulfamoyl]cyclohexene-1-carboxylate
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| Structure |
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| Formula |
C23H22ClFN2O8S
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| Molecular Weight |
540.953
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| Canonical SMILES |
CCOC(=O)C1=CCCCC1S(=O)(=O)N(C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C23H22ClFN2O8S/c1-2-34-22(28)18-5-3-4-6-21(18)36(32,33)26(20-12-9-16(25)13-19(20)24)23(29)35-14-15-7-10-17(11-8-15)27(30)31/h5,7-13,21H,2-4,6,14H2,1H3
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| InChIKey |
VBJFEFASEDZEIL-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