General Information of the Compound
| Compound ID |
CP0474658
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| Compound Name |
N-ethyl-4-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H24F4N4O3S
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| Molecular Weight |
536.551
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| Canonical SMILES |
CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H24F4N4O3S/c1-2-32(37(35,36)20-13-11-18(26)12-14-20)17-24(34,25(27,28)29)16-30-22-9-6-10-23-21(22)15-31-33(23)19-7-4-3-5-8-19/h3-15,30,34H,2,16-17H2,1H3
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| InChIKey |
OIOAMNWVVLMCFP-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