General Information of the Compound
| Compound ID |
CP0968022
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| Compound Name |
3-(1-oxo-5-(1-(quinolin-4-ylmethyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C28H28N4O3
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| Molecular Weight |
468.557
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccnc6ccccc56)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C28H28N4O3/c33-26-8-7-25(27(34)30-26)32-17-21-15-19(5-6-23(21)28(32)35)18-10-13-31(14-11-18)16-20-9-12-29-24-4-2-1-3-22(20)24/h1-6,9,12,15,18,25H,7-8,10-11,13-14,16-17H2,(H,30,33,34)
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| InChIKey |
IHLGPTIDKIATFF-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
Protein ID: PT07271, DNA-binding protein Ikaros
Protein ID: PT07180, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A