General Information of the Compound
| Compound ID |
CP0511585
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| Compound Name |
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-[[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C25H22F4N6O2S
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| Molecular Weight |
546.55
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| Canonical SMILES |
COCCN(C)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2F)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C25H22F4N6O2S/c1-35(10-11-37-2)21-12-20(30-14-31-21)32-16-8-6-15(7-9-16)23(36)34-24-33-19(13-38-24)17-4-3-5-18(22(17)26)25(27,28)29/h3-9,12-14H,10-11H2,1-2H3,(H,30,31,32)(H,33,34,36)
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| InChIKey |
ZJILDGXZYULAJU-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