General Information of the Compound
| Compound ID |
CP0156999
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| Compound Name |
N-(2-methylpropyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(2-methyl-4-nitrophenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H25F3N2O5S
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| Molecular Weight |
546.567
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccc(cc1C)[N+]([O-])=O)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H25F3N2O5S/c1-19(2)18-31(38(36,37)25-7-5-4-6-8-25)23-13-10-22(11-14-23)26(33,27(28,29)30)16-15-21-9-12-24(32(34)35)17-20(21)3/h4-14,17,19,33H,18H2,1-3H3
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| InChIKey |
NGVQTVNPIHWYMH-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