General Information of the Compound
| Compound ID |
CP0965584
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| Compound Name |
3-((4-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)piperidin-1-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C26H26N4O3
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| Molecular Weight |
442.519
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| Canonical SMILES |
N#Cc1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)c1
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| InChI |
InChI=1S/C26H26N4O3/c27-14-17-2-1-3-18(12-17)15-29-10-8-19(9-11-29)20-4-5-22-21(13-20)16-30(26(22)33)23-6-7-24(31)28-25(23)32/h1-5,12-13,19,23H,6-11,15-16H2,(H,28,31,32)
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| InChIKey |
RTUISXSZWCJACT-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