General Information of the Compound
| Compound ID |
CP0314138
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| Compound Name |
N-(2-methylpropyl)-N-[4-(1,1,1-trifluoro-2-hydroxy-4-pyridin-3-ylbut-3-yn-2-yl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H23F3N2O3S
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| Molecular Weight |
488.531
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1cccnc1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H23F3N2O3S/c1-19(2)18-30(34(32,33)23-8-4-3-5-9-23)22-12-10-21(11-13-22)24(31,25(26,27)28)15-14-20-7-6-16-29-17-20/h3-13,16-17,19,31H,18H2,1-2H3
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| InChIKey |
YMCZPIAWBPMWLT-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