General Information of the Compound
| Compound ID |
CP0559828
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| Compound Name |
4-(6-(dimethylamino)pyrimidin-4-ylamino)-N-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-5-methylthiazol-2-yl)benzamide
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| Structure |
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| Formula |
C24H20F4N6OS
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| Molecular Weight |
516.524
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| Canonical SMILES |
CN(C)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(c(C)s2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C24H20F4N6OS/c1-13-21(15-6-9-18(25)17(10-15)24(26,27)28)32-23(36-13)33-22(35)14-4-7-16(8-5-14)31-19-11-20(34(2)3)30-12-29-19/h4-12H,1-3H3,(H,29,30,31)(H,32,33,35)
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| InChIKey |
LNFOWBSRYNOJJG-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