General Information of the Compound
| Compound ID |
CP0423195
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| Compound Name |
ethyl 6-[(2-chloro-4-fluorophenyl)-prop-2-ynoxycarbonylsulfamoyl]cyclohexene-1-carboxylate
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| Structure |
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| Formula |
C19H19ClFNO6S
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| Molecular Weight |
443.88
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| Canonical SMILES |
CCOC(=O)C1=CCCCC1S(=O)(=O)N(C(=O)OCC#C)c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C19H19ClFNO6S/c1-3-11-28-19(24)22(16-10-9-13(21)12-15(16)20)29(25,26)17-8-6-5-7-14(17)18(23)27-4-2/h1,7,9-10,12,17H,4-6,8,11H2,2H3
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| InChIKey |
NWLOHMZJQWDQRZ-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