General Information of the Compound
| Compound ID |
CP0951117
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| Compound Name |
3-(1-oxo-5-(1-(4-(trifluoromethoxy)benzyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H26F3N3O4
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| Molecular Weight |
501.505
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C26H26F3N3O4/c27-26(28,29)36-20-4-1-16(2-5-20)14-31-11-9-17(10-12-31)18-3-6-21-19(13-18)15-32(25(21)35)22-7-8-23(33)30-24(22)34/h1-6,13,17,22H,7-12,14-15H2,(H,30,33,34)
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| InChIKey |
SPEXMZKEMUILOA-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