General Information of the Compound
| Compound ID |
CP0236919
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| Compound Name |
N-(2-methylpropyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]but-3-yn-2-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H23F6NO3S
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| Molecular Weight |
555.54
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1cccc(c1)C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H23F6NO3S/c1-19(2)18-34(38(36,37)24-9-4-3-5-10-24)23-13-11-21(12-14-23)25(35,27(31,32)33)16-15-20-7-6-8-22(17-20)26(28,29)30/h3-14,17,19,35H,18H2,1-2H3
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| InChIKey |
IPVOYRALYXDGRZ-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