General Information of the Compound
| Compound ID |
CP0951116
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| Compound Name |
3-(1-oxo-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(CC5CCOCC5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C24H31N3O4/c28-22-4-3-21(23(29)25-22)27-15-19-13-18(1-2-20(19)24(27)30)17-5-9-26(10-6-17)14-16-7-11-31-12-8-16/h1-2,13,16-17,21H,3-12,14-15H2,(H,25,28,29)
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| InChIKey |
UQAZOEVWXTWRGH-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