General Information of the Compound
| Compound ID |
CP0485404
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| Compound Name |
N-[4-[6-[2-amino-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(Oc3cc(ncn3)-c3ccc(cc3N)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C20H14F3N5O2S/c1-10(29)27-19-28-18-15(3-2-4-16(18)31-19)30-17-8-14(25-9-26-17)12-6-5-11(7-13(12)24)20(21,22)23/h2-9H,24H2,1H3,(H,27,28,29)
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| InChIKey |
BHESLGXYAUGTJK-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