General Information of the Compound
| Compound ID |
CP0967456
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| Compound Name |
N-[((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-(ethyl(oxan-4-yl)amino]-4-methyl-4'-((4-(7-((2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-oxy}heptyl)piperazin-1-yl]methyl]-[1,1'-biphenyl]-3-carboxamide
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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(c1cc(-c2ccc(CN3CCN(CCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
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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)57-52(45)65)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(53(43)66)46-19-20-49(63)58(5)54(46)67/h12-18,31-33,42,46H,6-11,19-30,34-35H2,1-5H3,(H,56,64)(H,57,65)
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| InChIKey |
NQCKFGSIHZHVNA-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