General Information of the Compound
| Compound ID |
CP0552209
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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-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]butyl]propanamide
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| Formula |
C50H61ClN10O9S
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| Molecular Weight |
1013.619
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCCCNCC(=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/C50H61ClN10O9S/c1-29(2)70-40-26-34(31(5)25-38(40)57-50-54-27-35(51)46(59-50)56-36-12-6-7-14-41(36)71(68,69)30(3)4)32-17-22-60(23-18-32)24-19-42(62)53-21-9-8-20-52-28-44(64)55-37-13-10-11-33-45(37)49(67)61(48(33)66)39-15-16-43(63)58-47(39)65/h6-7,10-14,25-27,29-30,32,39,52H,8-9,15-24,28H2,1-5H3,(H,53,62)(H,55,64)(H,58,63,65)(H2,54,56,57,59)
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| InChIKey |
XFOUZMHZPQENDL-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