General Information of the Compound
| Compound ID |
CP0507871
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| Compound Name |
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-4-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C22H17F4N7O2S
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| Molecular Weight |
519.484
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| Canonical SMILES |
OCCNc1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C22H17F4N7O2S/c23-16-6-3-13(9-15(16)22(24,25)26)19-31-21(36-33-19)32-20(35)12-1-4-14(5-2-12)30-18-10-17(27-7-8-34)28-11-29-18/h1-6,9-11,34H,7-8H2,(H2,27,28,29,30)(H,31,32,33,35)
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| InChIKey |
ZQQCWYBWBQMAOD-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