General Information of the Compound
| Compound ID |
CP0421940
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| Compound Name |
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-(2-nitrophenyl)methanesulfonamide
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| Structure |
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| Formula |
C22H15F7N2O5S
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| Molecular Weight |
552.424
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| Canonical SMILES |
OC(c1ccc(c(F)c1)-c1ccc(NS(=O)(=O)Cc2ccccc2[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H15F7N2O5S/c23-18-11-15(20(32,21(24,25)26)22(27,28)29)7-10-17(18)13-5-8-16(9-6-13)30-37(35,36)12-14-3-1-2-4-19(14)31(33)34/h1-11,30,32H,12H2
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| InChIKey |
XVUSKFDOHLXNEI-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