General Information of the Compound
| Compound ID |
CP0433241
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| Compound Name |
N-[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C20H14F3N5O2S
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| Molecular Weight |
445.426
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3ncnc(-c4ccc(cc4)C(F)(F)F)c3N)cccc2s1
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| InChI |
InChI=1S/C20H14F3N5O2S/c1-10(29)27-19-28-17-13(3-2-4-14(17)31-19)30-18-15(24)16(25-9-26-18)11-5-7-12(8-6-11)20(21,22)23/h2-9H,24H2,1H3,(H,27,28,29)
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| InChIKey |
DOXXUQVVKOKEOG-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