General Information of the Compound
| Compound ID |
CP0956197
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| Compound Name |
3-(5-(((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)piperidin-2-yl)methoxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C27H27F2N3O6
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| Molecular Weight |
527.524
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccc5c(c4)OC(F)(F)O5)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C27H27F2N3O6/c28-27(29)37-22-8-4-16(11-23(22)38-27)13-31-10-2-1-3-18(31)15-36-19-5-6-20-17(12-19)14-32(26(20)35)21-7-9-24(33)30-25(21)34/h4-6,8,11-12,18,21H,1-3,7,9-10,13-15H2,(H,30,33,34)/t18-,21?/m1/s1
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| InChIKey |
ILXOWOYLHIFRCQ-ITUIMRKVSA-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