General Information of the Compound
| Compound ID |
CP0127474
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| Compound Name |
3-cyano-N-(2-methylpropyl)-N-[4-(1,1,1-trifluoro-2-hydroxy-4-phenylbut-3-yn-2-yl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H23F3N2O3S
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| Molecular Weight |
512.553
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccccc1)C(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C27H23F3N2O3S/c1-20(2)19-32(36(34,35)25-10-6-9-22(17-25)18-31)24-13-11-23(12-14-24)26(33,27(28,29)30)16-15-21-7-4-3-5-8-21/h3-14,17,20,33H,19H2,1-2H3
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| InChIKey |
UPBQKZKPZNVPRI-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