General Information of the Compound
| Compound ID |
CP0086777
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| Compound Name |
2-methyl-2-[4-[[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylamino]methyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C23H23F3N2O3S
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| Molecular Weight |
464.509
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| Canonical SMILES |
Cc1nc(sc1CNCc1ccc(OC(C)(C)C(O)=O)cc1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H23F3N2O3S/c1-14-19(32-20(28-14)16-5-4-6-17(11-16)23(24,25)26)13-27-12-15-7-9-18(10-8-15)31-22(2,3)21(29)30/h4-11,27H,12-13H2,1-3H3,(H,29,30)
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| InChIKey |
HBCBZGQRHKFODN-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