General Information of the Compound
| Compound ID |
CP0433481
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| Compound Name |
2-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
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| Structure |
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| Formula |
C20H17F3N4OS
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| Molecular Weight |
418.444
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C20H17F3N4OS/c1-19(2,3)12-7-4-5-9-14(12)28-17-13(8-6-10-25-17)26-18-27-16(20(21,22)23)15(11-24)29-18/h4-10H,1-3H3,(H,26,27)
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| InChIKey |
LSERZMVXHIFCNZ-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