General Information of the Compound
| Compound ID |
CP0577480
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| Compound Name |
2-[[5-chloro-2-[4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C41H45ClN10O6
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| Molecular Weight |
809.328
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCC(=O)Nc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)CC2)ncc1Cl
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| InChI |
InChI=1S/C41H45ClN10O6/c1-43-38(55)27-8-3-4-10-30(27)46-37-29(42)23-44-41(49-37)47-32-14-13-25(22-34(32)58-2)51-20-18-50(19-21-51)17-6-5-12-35(53)45-31-11-7-9-26-28(31)24-52(40(26)57)33-15-16-36(54)48-39(33)56/h3-4,7-11,13-14,22-23,33H,5-6,12,15-21,24H2,1-2H3,(H,43,55)(H,45,53)(H,48,54,56)(H2,44,46,47,49)
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| InChIKey |
GKJVFOYABCGOCG-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