General Information of the Compound
| Compound ID |
CP0487652
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| Compound Name |
1-[2-(3-Fluoroazetidin-1-yl)-2-oxo-ethyl]-3-methyl-6-[5-(trifluoromethyl)-2- thienyl]imidazo[4,5-b]pyridin-2-one
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| Structure |
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| Formula |
C17H14F4N4O2S
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| Molecular Weight |
414.384
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| Canonical SMILES |
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(s1)C(F)(F)F
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| InChI |
InChI=1S/C17H14F4N4O2S/c1-23-15-11(25(16(23)27)8-14(26)24-6-10(18)7-24)4-9(5-22-15)12-2-3-13(28-12)17(19,20)21/h2-5,10H,6-8H2,1H3
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| InChIKey |
DOCHLUJBYYUVPG-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