General Information of the Compound
| Compound ID |
CP0552208
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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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]propanamide
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| Formula |
C48H58ClN9O8S
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| Molecular Weight |
956.567
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCCCNc3cccc4C(=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/C48H58ClN9O8S/c1-28(2)66-39-26-33(30(5)25-37(39)54-48-52-27-34(49)44(56-48)53-35-12-6-7-14-40(35)67(64,65)29(3)4)31-17-22-57(23-18-31)24-19-41(59)51-21-9-8-20-50-36-13-10-11-32-43(36)47(63)58(46(32)62)38-15-16-42(60)55-45(38)61/h6-7,10-14,25-29,31,38,50H,8-9,15-24H2,1-5H3,(H,51,59)(H,55,60,61)(H2,52,53,54,56)
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| InChIKey |
WTWFKTBGRXTKGS-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