General Information of the Compound
| Compound ID |
CP0464016
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| Compound Name |
4-[2-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-4-(trifluoromethyl)-1,3-thiazol-5-yl]benzonitrile
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| Structure |
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| Formula |
C26H21F3N4OS
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| Molecular Weight |
494.542
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccc(cc1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C26H21F3N4OS/c1-25(2,3)18-7-4-5-9-20(18)34-23-19(8-6-14-31-23)32-24-33-22(26(27,28)29)21(35-24)17-12-10-16(15-30)11-13-17/h4-14H,1-3H3,(H,32,33)
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| InChIKey |
CHZZSTAXLDURKI-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