General Information of the Compound
| Compound ID |
CP0320186
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| Compound Name |
5-[8-fluoro-3-[(1R)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole
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| Structure |
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| Formula |
C21H15F2N5S
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| Molecular Weight |
407.449
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| Canonical SMILES |
Cc1cc(sn1)-c1cc(F)c2nnc(n2c1)[C@](C)(F)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C21H15F2N5S/c1-12-8-18(29-27-12)14-10-16(22)19-25-26-20(28(19)11-14)21(2,23)15-5-6-17-13(9-15)4-3-7-24-17/h3-11H,1-2H3/t21-/m1/s1
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| InChIKey |
FVLLNQSZSCOJJU-OAQYLSRUSA-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