General Information of the Compound
| Compound ID |
CP0574178
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| Compound Name |
3-[8-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]propanoylamino]octylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
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| Formula |
C55H71ClN10O9S
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| Molecular Weight |
1083.754
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCCCCCCCNCCC(=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/C55H71ClN10O9S/c1-34(2)75-45-32-39(36(5)31-43(45)62-55-59-33-40(56)51(64-55)61-41-16-10-11-18-46(41)76(73,74)35(3)4)37-22-28-65(29-23-37)30-24-47(67)58-26-13-9-7-6-8-12-25-57-27-21-49(69)60-42-17-14-15-38-50(42)54(72)66(53(38)71)44-19-20-48(68)63-52(44)70/h10-11,14-18,31-35,37,44,57H,6-9,12-13,19-30H2,1-5H3,(H,58,67)(H,60,69)(H,63,68,70)(H2,59,61,62,64)
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| InChIKey |
YSSQXAXQWFHUOM-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