General Information of the Compound
| Compound ID |
CP0965588
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| Compound Name |
3-(5-(1-(2,6-difluorobenzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C25H25F2N3O3
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| Molecular Weight |
453.489
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5c(F)cccc5F)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C25H25F2N3O3/c26-20-2-1-3-21(27)19(20)14-29-10-8-15(9-11-29)16-4-5-18-17(12-16)13-30(25(18)33)22-6-7-23(31)28-24(22)32/h1-5,12,15,22H,6-11,13-14H2,(H,28,31,32)
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| InChIKey |
IIJBLJJNSHCUCI-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