General Information of the Compound
| Compound ID |
CP0088554
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| Compound Name |
5-[3-[difluoro(quinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole
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| Structure |
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| Formula |
C20H12F3N5S
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| Molecular Weight |
411.412
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| Canonical SMILES |
Cc1ncc(s1)-c1cc(F)c2nnc(n2c1)C(F)(F)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C20H12F3N5S/c1-11-25-9-17(29-11)13-8-15(21)18-26-27-19(28(18)10-13)20(22,23)14-4-5-16-12(7-14)3-2-6-24-16/h2-10H,1H3
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| InChIKey |
NKYMWVLKAPEFNR-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