General Information of the Compound
| Compound ID |
CP0314140
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| Compound Name |
N-(2-methylpropyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H26F3NO3S
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| Molecular Weight |
501.57
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccc(C)cc1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H26F3NO3S/c1-20(2)19-31(35(33,34)25-7-5-4-6-8-25)24-15-13-23(14-16-24)26(32,27(28,29)30)18-17-22-11-9-21(3)10-12-22/h4-16,20,32H,19H2,1-3H3
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| InChIKey |
HOKWHENHZPOIMO-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