General Information of the Compound
| Compound ID |
CP0553061
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| Compound Name |
N-[4-[2-(pyridin-4-ylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C26H19F3N6O2S
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| Molecular Weight |
536.539
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(nc(NCc4ccncc4)n3)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C26H19F3N6O2S/c1-15(36)32-25-35-23-20(3-2-4-21(23)38-25)37-22-13-19(17-5-7-18(8-6-17)26(27,28)29)33-24(34-22)31-14-16-9-11-30-12-10-16/h2-13H,14H2,1H3,(H,31,33,34)(H,32,35,36)
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| InChIKey |
ITWSXMMVIHTJBL-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