General Information of the Compound
| Compound ID |
CP0965590
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| Compound Name |
3-(5-(1-(3-chlorobenzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C25H26ClN3O3
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| Molecular Weight |
451.954
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cccc(Cl)c5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C25H26ClN3O3/c26-20-3-1-2-16(12-20)14-28-10-8-17(9-11-28)18-4-5-21-19(13-18)15-29(25(21)32)22-6-7-23(30)27-24(22)31/h1-5,12-13,17,22H,6-11,14-15H2,(H,27,30,31)
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| InChIKey |
XFELGEMMBRJKSO-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