General Information of the Compound
| Compound ID |
CP0561733
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| Compound Name |
3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
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| Formula |
C54H70ClN9O12S
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| Molecular Weight |
1104.725
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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| InChI |
InChI=1S/C54H70ClN9O12S/c1-34(2)76-45-32-39(36(5)31-43(45)60-54-58-33-40(55)50(62-54)59-41-10-6-7-12-46(41)77(70,71)35(3)4)37-15-20-63(21-16-37)22-17-47(65)57-19-24-73-26-28-75-30-29-74-27-25-72-23-18-56-42-11-8-9-38-49(42)53(69)64(52(38)68)44-13-14-48(66)61-51(44)67/h6-12,31-35,37,44,56H,13-30H2,1-5H3,(H,57,65)(H,61,66,67)(H2,58,59,60,62)
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| InChIKey |
AQXDJARBSWYYTB-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