General Information of the Compound
| Compound ID |
CP0544196
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| Compound Name |
2-[[5-chloro-2-[4-[4-[3-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-3-oxopropoxy]propyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C44H50ClN11O8
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| Molecular Weight |
896.406
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCOCCC(=O)NCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)ncc1Cl
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| InChI |
InChI=1S/C44H50ClN11O8/c1-46-40(59)28-7-3-4-9-31(28)50-39-30(45)26-49-44(53-39)51-32-12-11-27(25-35(32)63-2)55-21-19-54(20-22-55)18-6-23-64-24-15-36(57)48-17-16-47-33-10-5-8-29-38(33)43(62)56(42(29)61)34-13-14-37(58)52-41(34)60/h3-5,7-12,25-26,34,47H,6,13-24H2,1-2H3,(H,46,59)(H,48,57)(H,52,58,60)(H2,49,50,51,53)
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| InChIKey |
VSYBFZZVFZDITO-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