General Information of the Compound
| Compound ID |
CP0546979
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| Compound Name |
2-[[5-chloro-2-[4-[4-[8-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-8-oxooctyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C46H54ClN11O7
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| Molecular Weight |
908.461
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCCCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C46H54ClN11O7/c1-48-42(61)30-11-7-8-13-33(30)52-41-32(47)28-51-46(55-41)53-34-17-16-29(27-37(34)65-2)57-25-23-56(24-26-57)22-9-5-3-4-6-15-38(59)50-21-20-49-35-14-10-12-31-40(35)45(64)58(44(31)63)36-18-19-39(60)54-43(36)62/h7-8,10-14,16-17,27-28,36,49H,3-6,9,15,18-26H2,1-2H3,(H,48,61)(H,50,59)(H,54,60,62)(H2,51,52,53,55)
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| InChIKey |
ITWCZRRVOFHFQP-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