General Information of the Compound
| Compound ID |
CP0543916
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| Compound Name |
5-[4-[[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptyl]piperazin-1-yl]methyl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxopyridin-3-yl)methyl]benzamide
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| Structure |
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| Formula |
C55H69N7O8
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| Molecular Weight |
956.198
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| Canonical SMILES |
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)-c1ccc(CN2CCN(CCCCCCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
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| InChI |
InChI=1S/C55H69N7O8/c1-6-61(42-21-29-69-30-22-42)47-33-41(32-44(38(47)4)51(64)56-34-45-36(2)31-37(3)58(5)53(45)66)40-17-15-39(16-18-40)35-60-26-24-59(25-27-60)23-10-8-7-9-11-28-70-48-14-12-13-43-50(48)55(68)62(54(43)67)46-19-20-49(63)57-52(46)65/h12-18,31-33,42,46H,6-11,19-30,34-35H2,1-5H3,(H,56,64)(H,57,63,65)
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| InChIKey |
NSMNQZZPPLGEIM-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