General Information of the Compound
| Compound ID |
CP0522828
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| Compound Name |
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-4-[[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C24H21F4N7O2S
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| Molecular Weight |
547.538
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| Canonical SMILES |
COCCN(C)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C24H21F4N7O2S/c1-35(9-10-37-2)20-12-19(29-13-30-20)31-16-6-3-14(4-7-16)22(36)33-23-32-21(34-38-23)15-5-8-18(25)17(11-15)24(26,27)28/h3-8,11-13H,9-10H2,1-2H3,(H,29,30,31)(H,32,33,34,36)
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| InChIKey |
RNDKLAJBVAMORT-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