General Information of the Compound
| Compound ID |
CP0098794
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| Compound Name |
5-amino-N-[2-[[ethyl-(2-fluoro-6-methylsulfonylbenzoyl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H24F5N5O5S
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| Molecular Weight |
589.543
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| Canonical SMILES |
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1S(C)(=O)=O
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| InChI |
InChI=1S/C24H24F5N5O5S/c1-3-33(22(36)19-17(26)5-4-6-18(19)40(2,38)39)13-23(37,24(27,28)29)12-31-21(35)16-11-32-34(20(16)30)15-9-7-14(25)8-10-15/h4-11,37H,3,12-13,30H2,1-2H3,(H,31,35)
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| InChIKey |
JSLURERBIYFOSA-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