General Information of the Compound
| Compound ID |
CP0969277
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| Compound Name |
3-(5-(1-((2-amino-4-(trifluoromethyl)thiazol-5-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C23H24F3N5O3S
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| Molecular Weight |
507.538
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| Canonical SMILES |
Nc1nc(C(F)(F)F)c(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)s1
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| InChI |
InChI=1S/C23H24F3N5O3S/c24-23(25,26)19-17(35-22(27)29-19)11-30-7-5-12(6-8-30)13-1-2-15-14(9-13)10-31(21(15)34)16-3-4-18(32)28-20(16)33/h1-2,9,12,16H,3-8,10-11H2,(H2,27,29)(H,28,32,33)
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| InChIKey |
WQMLEVGSCYDMJL-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