General Information of the Compound
| Compound ID |
CP0272621
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| Compound Name |
N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]-N-(2-methylpropyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H25F3N2O4S
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| Molecular Weight |
506.546
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1c(C)noc1C)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H25F3N2O4S/c1-17(2)16-30(35(32,33)22-8-6-5-7-9-22)21-12-10-20(11-13-21)24(31,25(26,27)28)15-14-23-18(3)29-34-19(23)4/h5-13,17,31H,16H2,1-4H3
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| InChIKey |
GNIXZJMDDPSKAJ-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