General Information of the Compound
| Compound ID |
CP0571778
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| Compound Name |
methyl 3-[[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]sulfamoylmethyl]benzoate
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| Structure |
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| Formula |
C24H18F7NO5S
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| Molecular Weight |
565.463
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| Canonical SMILES |
COC(=O)c1cccc(CS(=O)(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)c1
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| InChI |
InChI=1S/C24H18F7NO5S/c1-37-21(33)16-4-2-3-14(11-16)13-38(35,36)32-18-8-5-15(6-9-18)19-10-7-17(12-20(19)25)22(34,23(26,27)28)24(29,30)31/h2-12,32,34H,13H2,1H3
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| InChIKey |
AGSQBOORSPNASE-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