General Information of the Compound
| Compound ID |
CP0492872
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| Compound Name |
N-[4-({6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C19H18F3N5O2S
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| Molecular Weight |
437.447
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCC(CC3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C19H18F3N5O2S/c1-11(28)25-18-26-17-13(3-2-4-14(17)30-18)29-16-9-15(23-10-24-16)27-7-5-12(6-8-27)19(20,21)22/h2-4,9-10,12H,5-8H2,1H3,(H,25,26,28)
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| InChIKey |
DIEWRDPAJIXNPT-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