General Information of the Compound
| Compound ID |
CP0528306
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| Compound Name |
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-4-[[6-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C23H19F4N7O2S
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| Molecular Weight |
533.511
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| Canonical SMILES |
CN(CCO)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C23H19F4N7O2S/c1-34(8-9-35)19-11-18(28-12-29-19)30-15-5-2-13(3-6-15)21(36)32-22-31-20(33-37-22)14-4-7-17(24)16(10-14)23(25,26)27/h2-7,10-12,35H,8-9H2,1H3,(H,28,29,30)(H,31,32,33,36)
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| InChIKey |
ZMFMWVFNCBQMKL-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