General Information of the Compound
| Compound ID |
CP0965596
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| Compound Name |
3-(1-oxo-5-(1-((2-oxo-2,3-dihydro-1H-benz[d]imidazol-5-yl)methyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H27N5O4
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| Molecular Weight |
473.533
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6[nH]c(=O)[nH]c6c5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C26H27N5O4/c32-23-6-5-22(24(33)29-23)31-14-18-12-17(2-3-19(18)25(31)34)16-7-9-30(10-8-16)13-15-1-4-20-21(11-15)28-26(35)27-20/h1-4,11-12,16,22H,5-10,13-14H2,(H2,27,28,35)(H,29,32,33)
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| InChIKey |
DBXBUWWOEWFBNK-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