General Information of the Compound
| Compound ID |
CP0562515
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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-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]propanamide
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| Formula |
C50H62ClN9O8S
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| Molecular Weight |
984.621
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CCC(=O)NCCCCCCNc3cccc4C(=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/C50H62ClN9O8S/c1-30(2)68-41-28-35(32(5)27-39(41)56-50-54-29-36(51)46(58-50)55-37-14-8-9-16-42(37)69(66,67)31(3)4)33-19-24-59(25-20-33)26-21-43(61)53-23-11-7-6-10-22-52-38-15-12-13-34-45(38)49(65)60(48(34)64)40-17-18-44(62)57-47(40)63/h8-9,12-16,27-31,33,40,52H,6-7,10-11,17-26H2,1-5H3,(H,53,61)(H,57,62,63)(H2,54,55,56,58)
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| InChIKey |
FYKNFKLDEYWTTI-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