General Information of the Compound
| Compound ID |
CP0147315
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| Compound Name |
N-[4-[4-(2,4-difluorophenyl)-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 |
C26H22F5NO3S
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| Molecular Weight |
523.523
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccc(F)cc1F)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H22F5NO3S/c1-18(2)17-32(36(34,35)23-6-4-3-5-7-23)22-12-9-20(10-13-22)25(33,26(29,30)31)15-14-19-8-11-21(27)16-24(19)28/h3-13,16,18,33H,17H2,1-2H3
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| InChIKey |
YDKXCKPEVZQWEP-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