General Information of the Compound
| Compound ID |
CP0553393
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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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]propanamide
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| Formula |
C52H65ClN10O11S
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| Molecular Weight |
1073.671
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCOCCOCCNCC(=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/C52H65ClN10O11S/c1-31(2)74-42-28-36(33(5)27-40(42)59-52-56-29-37(53)48(61-52)58-38-10-6-7-12-43(38)75(70,71)32(3)4)34-15-20-62(21-16-34)22-17-44(64)55-19-24-73-26-25-72-23-18-54-30-46(66)57-39-11-8-9-35-47(39)51(69)63(50(35)68)41-13-14-45(65)60-49(41)67/h6-12,27-29,31-32,34,41,54H,13-26,30H2,1-5H3,(H,55,64)(H,57,66)(H,60,65,67)(H2,56,58,59,61)
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| InChIKey |
OOLZSXPEPPATOF-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