General Information of the Compound
| Compound ID |
CP0553947
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| Compound Name |
5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[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 |
C22H18FN5OS
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| Molecular Weight |
419.485
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| Canonical SMILES |
COc1cnc2ccc(cc2c1)[C@H](C)c1nnc2c(F)cc(cn12)-c1cc(C)ns1
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| InChI |
InChI=1S/C22H18FN5OS/c1-12-6-20(30-27-12)16-9-18(23)22-26-25-21(28(22)11-16)13(2)14-4-5-19-15(7-14)8-17(29-3)10-24-19/h4-11,13H,1-3H3/t13-/m0/s1
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| InChIKey |
JBBFCPDEWSTXGG-ZDUSSCGKSA-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