General Information of the Compound
| Compound ID |
CP0468814
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| Compound Name |
N-[(1R,2R)-2-[[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylsulfamoyl)phenoxy]methyl]-3-(4-fluorophenyl)cyclohex-3-en-1-yl]acetamide
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| Structure |
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| Formula |
C24H22ClF2N3O4S2
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| Molecular Weight |
554.04
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H22ClF2N3O4S2/c1-14(31)29-21-4-2-3-17(15-5-7-16(26)8-6-15)18(21)11-34-22-10-20(27)23(9-19(22)25)36(32,33)30-24-12-35-13-28-24/h3,5-10,12-13,18,21,30H,2,4,11H2,1H3,(H,29,31)/t18-,21-/m1/s1
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| InChIKey |
BZMBKUWIELQPPN-WIYYLYMNSA-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