General Information of the Compound
| Compound ID |
CP0442422
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| Compound Name |
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]benzimidazol-1-yl]acetamide
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| Structure |
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| Formula |
C26H20F3N7O4
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| Molecular Weight |
551.485
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| Canonical SMILES |
CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4nccc(n4)C(F)(F)F)c3=O)cc2C1
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| InChI |
InChI=1S/C26H20F3N7O4/c1-34-23(39)33-21(38)25(34)11-14-6-7-16(10-15(14)12-25)31-20(37)13-35-17-4-2-3-5-18(17)36(24(35)40)22-30-9-8-19(32-22)26(27,28)29/h2-10H,11-13H2,1H3,(H,31,37)(H,33,38,39)/t25-/m1/s1
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| InChIKey |
CBYMKRJSUMRSHK-RUZDIDTESA-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