General Information of the Compound
| Compound ID |
CP0574173
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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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]propanamide
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| Formula |
C50H62ClN9O10S
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| Molecular Weight |
1016.619
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCOCCOCCNc3cccc4C(=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/C50H62ClN9O10S/c1-30(2)70-41-28-35(32(5)27-39(41)56-50-54-29-36(51)46(58-50)55-37-10-6-7-12-42(37)71(66,67)31(3)4)33-15-20-59(21-16-33)22-17-43(61)53-19-24-69-26-25-68-23-18-52-38-11-8-9-34-45(38)49(65)60(48(34)64)40-13-14-44(62)57-47(40)63/h6-12,27-31,33,40,52H,13-26H2,1-5H3,(H,53,61)(H,57,62,63)(H2,54,55,56,58)
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| InChIKey |
NJKOJIFQSVZCTA-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