General Information of the Compound
| Compound ID |
CP0456689
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| Compound Name |
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-[[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C24H18F4N6O2S
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| Molecular Weight |
530.507
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| Canonical SMILES |
OC1CN(C1)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2F)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C24H18F4N6O2S/c25-21-16(2-1-3-17(21)24(26,27)28)18-11-37-23(32-18)33-22(36)13-4-6-14(7-5-13)31-19-8-20(30-12-29-19)34-9-15(35)10-34/h1-8,11-12,15,35H,9-10H2,(H,29,30,31)(H,32,33,36)
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| InChIKey |
XYVTWHSXDVNVIP-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