General Information of the Compound
| Compound ID |
CP0409157
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| Compound Name |
5-[8-fluoro-3-[(1S)-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 |
C21H16FN5S
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| Molecular Weight |
389.459
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| Canonical SMILES |
C[C@H](c1nnc2c(F)cc(cn12)-c1cc(C)ns1)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C21H16FN5S/c1-12-8-19(28-26-12)16-10-17(22)21-25-24-20(27(21)11-16)13(2)14-5-6-18-15(9-14)4-3-7-23-18/h3-11,13H,1-2H3/t13-/m0/s1
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| InChIKey |
PGYRRMODSKSGTC-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