General Information of the Compound
| Compound ID |
CP0565431
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| Compound Name |
3-[4-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]propanoylamino]butylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
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| Formula |
C51H63ClN10O9S
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| Molecular Weight |
1027.646
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCCCNCCC(=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/C51H63ClN10O9S/c1-30(2)71-41-28-35(32(5)27-39(41)58-51-55-29-36(52)47(60-51)57-37-12-6-7-14-42(37)72(69,70)31(3)4)33-18-24-61(25-19-33)26-20-43(63)54-22-9-8-21-53-23-17-45(65)56-38-13-10-11-34-46(38)50(68)62(49(34)67)40-15-16-44(64)59-48(40)66/h6-7,10-14,27-31,33,40,53H,8-9,15-26H2,1-5H3,(H,54,63)(H,56,65)(H,59,64,66)(H2,55,57,58,60)
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| InChIKey |
ZDDSPYQXQMXKQZ-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