General Information of the Compound
| Compound ID |
CP0964110
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| Compound Name |
3-(5-((S)-azepan-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C19H23N3O3
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| Molecular Weight |
341.411
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| Canonical SMILES |
O=C1CCC(N2Cc3cc([C@H]4CCCNCC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C19H23N3O3/c23-17-6-5-16(18(24)21-17)22-11-14-10-13(3-4-15(14)19(22)25)12-2-1-8-20-9-7-12/h3-4,10,12,16,20H,1-2,5-9,11H2,(H,21,23,24)/t12-,16?/m0/s1
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| InChIKey |
KQLVHPSDHDZTDV-HKALDPMFSA-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