General Information of the Compound
| Compound ID |
CP0418931
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| Compound Name |
ethyl 2-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
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| Structure |
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| Formula |
C22H22F3N3O3S
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| Molecular Weight |
465.497
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| Canonical SMILES |
CCOC(=O)c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N3O3S/c1-5-30-19(29)16-17(22(23,24)25)28-20(32-16)27-14-10-8-12-26-18(14)31-15-11-7-6-9-13(15)21(2,3)4/h6-12H,5H2,1-4H3,(H,27,28)
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| InChIKey |
YZTFZFZGNMASQK-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