General Information of the Compound
| Compound ID |
CP0964112
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| Compound Name |
3-(1-oxo-5-(1-((S)-1-phenylethyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
C[C@@H](c1ccccc1)N1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
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| InChI |
InChI=1S/C26H29N3O3/c1-17(18-5-3-2-4-6-18)28-13-11-19(12-14-28)20-7-8-22-21(15-20)16-29(26(22)32)23-9-10-24(30)27-25(23)31/h2-8,15,17,19,23H,9-14,16H2,1H3,(H,27,30,31)/t17-,23?/m0/s1
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| InChIKey |
GLKCQJUUCIBRTC-NVHKAFQKSA-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