General Information of the Compound
| Compound ID |
CP0562640
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| Compound Name |
1-[2-(Azetidin-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 |
C17H15F3N4O2S
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| Molecular Weight |
396.394
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| Canonical SMILES |
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F3N4O2S/c1-22-15-11(24(16(22)26)9-14(25)23-5-2-6-23)7-10(8-21-15)12-3-4-13(27-12)17(18,19)20/h3-4,7-8H,2,5-6,9H2,1H3
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| InChIKey |
VBYDZMQKWHOANY-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