General Information of the Compound
| Compound ID |
CP0472139
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| Compound Name |
3-oxo-N-(5-(4-(trifluoromethyl)phenyl)pyrimidin-2-yl)-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C24H19F3N4O3
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| Molecular Weight |
468.435
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
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| InChI |
InChI=1S/C24H19F3N4O3/c25-24(26,27)17-7-5-15(6-8-17)16-13-28-21(29-14-16)30-22(33)31-11-9-23(10-12-31)19-4-2-1-3-18(19)20(32)34-23/h1-8,13-14H,9-12H2,(H,28,29,30,33)
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| InChIKey |
LVOTZBMOBBJKKI-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