General Information of the Compound
| Compound ID |
CP0455052
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| Compound Name |
N-[4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C25H20F3N5O2S
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| Molecular Weight |
511.529
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(nc(n3)C3=CCNCC3)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C25H20F3N5O2S/c1-14(34)30-24-33-22-19(3-2-4-20(22)36-24)35-21-13-18(15-5-7-17(8-6-15)25(26,27)28)31-23(32-21)16-9-11-29-12-10-16/h2-9,13,29H,10-12H2,1H3,(H,30,33,34)
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| InChIKey |
SSQBQOWLNNLZPE-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