General Information of the Compound
| Compound ID |
CP0248505
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| Compound Name |
2-[2-methyl-4-[3-methylbutyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C27H28F3NO5S
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| Molecular Weight |
535.584
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| Canonical SMILES |
CC(C)CCN(c1cccc(c1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(OCC(O)=O)c(C)c1
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| InChI |
InChI=1S/C27H28F3NO5S/c1-18(2)13-14-31(37(34,35)24-11-12-25(19(3)15-24)36-17-26(32)33)23-6-4-5-21(16-23)20-7-9-22(10-8-20)27(28,29)30/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,32,33)
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| InChIKey |
NKKHDYJGPIYHBG-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