General Information of the Compound
| Compound ID |
CP0529691
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| Compound Name |
N-[4-[2-(1-pyridin-2-ylethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C27H21F3N6O2S
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| Molecular Weight |
550.566
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| Canonical SMILES |
CC(Nc1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccn1
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| InChI |
InChI=1S/C27H21F3N6O2S/c1-15(19-6-3-4-13-31-19)32-25-34-20(17-9-11-18(12-10-17)27(28,29)30)14-23(35-25)38-21-7-5-8-22-24(21)36-26(39-22)33-16(2)37/h3-15H,1-2H3,(H,32,34,35)(H,33,36,37)
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| InChIKey |
FCPFTBAOPIIVDF-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