General Information of the Compound
| Compound ID |
CP0487653
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| Compound Name |
1-[2-(Azetidin-1-yl)-2-oxo-ethyl]-6-[5-(difluoromethyl)-2-thienyl]-3-methyl- imidazo[4,5-b]pyridin-2-one
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| Structure |
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| Formula |
C17H16F2N4O2S
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| Molecular Weight |
378.404
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| Canonical SMILES |
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)F
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| InChI |
InChI=1S/C17H16F2N4O2S/c1-21-16-11(23(17(21)25)9-14(24)22-5-2-6-22)7-10(8-20-16)12-3-4-13(26-12)15(18)19/h3-4,7-8,15H,2,5-6,9H2,1H3
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| InChIKey |
KTDMNJGDTMUKDB-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