General Information of the Compound
| Compound ID |
CP0436367
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| Compound Name |
2-(3-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-4-(pentyloxy)phenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
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| Structure |
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| Formula |
C26H27ClF3NO5S
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| Molecular Weight |
558.018
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| Canonical SMILES |
CCCCCOc1ccc(cc1OCCc1sc(nc1C)-c1ccc(Cl)cc1)C(O)(C(O)=O)C(F)(F)F
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| InChI |
InChI=1S/C26H27ClF3NO5S/c1-3-4-5-13-35-20-11-8-18(25(34,24(32)33)26(28,29)30)15-21(20)36-14-12-22-16(2)31-23(37-22)17-6-9-19(27)10-7-17/h6-11,15,34H,3-5,12-14H2,1-2H3,(H,32,33)
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| InChIKey |
NPPRUHOPMCRSHH-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