General Information of the Compound
| Compound ID |
CP0544191
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| Compound Name |
2-[[5-chloro-2-[4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-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 |
C41H43ClN10O7
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| Molecular Weight |
823.311
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CCCCC(=O)Nc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)ncc1Cl
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| InChI |
InChI=1S/C41H43ClN10O7/c1-43-37(55)27-7-3-4-8-30(27)46-36-29(42)23-44-41(49-36)47-31-13-11-25(22-33(31)59-2)51-19-17-50(18-20-51)16-6-5-9-34(53)45-24-10-12-26-28(21-24)40(58)52(39(26)57)32-14-15-35(54)48-38(32)56/h3-4,7-8,10-13,21-23,32H,5-6,9,14-20H2,1-2H3,(H,43,55)(H,45,53)(H,48,54,56)(H2,44,46,47,49)
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| InChIKey |
HAEOFQWSPTYRFA-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