General Information of the Compound
| Compound ID |
CP0531159
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| Compound Name |
1-((2-(4-methoxybenzylamino)pyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C26H25F3N4O3S
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| Molecular Weight |
530.572
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| Canonical SMILES |
COc1ccc(CNc2cc(CN3C(=O)N(C(=O)C3(C)C)c3ccc(SC(F)(F)F)cc3)ccn2)cc1
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| InChI |
InChI=1S/C26H25F3N4O3S/c1-25(2)23(34)33(19-6-10-21(11-7-19)37-26(27,28)29)24(35)32(25)16-18-12-13-30-22(14-18)31-15-17-4-8-20(36-3)9-5-17/h4-14H,15-16H2,1-3H3,(H,30,31)
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| InChIKey |
QBAAIKKMCWIFNY-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