General Information of the Compound
| Compound ID |
CP0212080
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| Compound Name |
4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C22H17F4N3O3S
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| Molecular Weight |
479.455
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| Canonical SMILES |
OCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H17F4N3O3S/c23-16-2-4-17(5-3-16)29-21-8-1-14(11-15(21)13-27-29)19-7-6-18(12-20(19)22(24,25)26)33(31,32)28-9-10-30/h1-8,11-13,28,30H,9-10H2
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| InChIKey |
IEZFNUXVGKYXMU-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