General Information of the Compound
| Compound ID |
CP0394314
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| Compound Name |
N-[4-[2-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(Oc3cc(nc(N)n3)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C20H14F3N5O2S/c1-10(29)25-19-28-17-14(3-2-4-15(17)31-19)30-16-9-13(26-18(24)27-16)11-5-7-12(8-6-11)20(21,22)23/h2-9H,1H3,(H2,24,26,27)(H,25,28,29)
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| InChIKey |
OLXDORQSSIANTI-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