General Information of the Compound
| Compound ID |
CP0951096
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| Compound Name |
3-(5-(1-(4-(5-methylbenzo[d]thiazol-2-yl)benzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C33H32N4O3S
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| Molecular Weight |
564.711
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| Canonical SMILES |
Cc1ccc2sc(-c3ccc(CN4CCC(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2c1
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| InChI |
InChI=1S/C33H32N4O3S/c1-20-2-10-29-27(16-20)34-32(41-29)23-5-3-21(4-6-23)18-36-14-12-22(13-15-36)24-7-8-26-25(17-24)19-37(33(26)40)28-9-11-30(38)35-31(28)39/h2-8,10,16-17,22,28H,9,11-15,18-19H2,1H3,(H,35,38,39)
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| InChIKey |
XVKQWHLQMJBGOS-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