General Information of the Compound
| Compound ID |
CP0436347
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| Compound Name |
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-4-[[6-[[2-hydroxy-1-(hydroxyamino)ethyl]-methylamino]pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C23H20F4N8O3S
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| Molecular Weight |
564.525
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| Canonical SMILES |
CN(C(CO)NO)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C23H20F4N8O3S/c1-35(19(10-36)33-38)18-9-17(28-11-29-18)30-14-5-2-12(3-6-14)21(37)32-22-31-20(34-39-22)13-4-7-16(24)15(8-13)23(25,26)27/h2-9,11,19,33,36,38H,10H2,1H3,(H,28,29,30)(H,31,32,34,37)
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| InChIKey |
SACDXDHIZMPDAD-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