General Information of the Compound
| Compound ID |
CP0157000
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| Compound Name |
N-(2,2-dimethylpropyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C28H28F3NO5S2
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| Molecular Weight |
579.662
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| Canonical SMILES |
CC(C)(C)CN(c1ccc(cc1)C(O)(C#Cc1ccc(cc1)S(C)(=O)=O)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H28F3NO5S2/c1-26(2,3)20-32(39(36,37)25-8-6-5-7-9-25)23-14-12-22(13-15-23)27(33,28(29,30)31)19-18-21-10-16-24(17-11-21)38(4,34)35/h5-17,33H,20H2,1-4H3
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| InChIKey |
ZATNJKHDTLHDQN-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