General Information of the Compound
| Compound ID |
CP0574176
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| Compound Name |
3-[2-[2-[2-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]propanoylamino]ethoxy]ethoxy]ethylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
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| Formula |
C53H67ClN10O11S
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| Molecular Weight |
1087.698
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCOCCOCCNCCC(=O)Nc3cccc4C(=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/C53H67ClN10O11S/c1-32(2)75-43-30-37(34(5)29-41(43)60-53-57-31-38(54)49(62-53)59-39-10-6-7-12-44(39)76(71,72)33(3)4)35-16-22-63(23-17-35)24-18-45(65)56-21-26-74-28-27-73-25-20-55-19-15-47(67)58-40-11-8-9-36-48(40)52(70)64(51(36)69)42-13-14-46(66)61-50(42)68/h6-12,29-33,35,42,55H,13-28H2,1-5H3,(H,56,65)(H,58,67)(H,61,66,68)(H2,57,59,60,62)
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| InChIKey |
ONEASCOZANGQFF-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