General Information of the Compound
| Compound ID |
CP0529089
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| Compound Name |
(3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,2,4-oxadiazol-5-yl)methanol
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| Structure |
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| Formula |
C18H17F3N4O3S
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| Molecular Weight |
426.42
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| Canonical SMILES |
OCc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C18H17F3N4O3S/c19-18(20,21)12-3-1-2-4-13(12)27-11-5-7-25(8-6-11)17-22-9-14(29-17)16-23-15(10-26)28-24-16/h1-4,9,11,26H,5-8,10H2
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| InChIKey |
AEDMQUAPBVOJNN-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