General Information of the Compound
| Compound ID |
CP0558155
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| Compound Name |
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]amino]acetamide
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| Structure |
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| Formula |
C30H29F3N8O4
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| Molecular Weight |
622.608
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1
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| InChI |
InChI=1S/C30H29F3N8O4/c31-30(32,33)18-3-1-4-19(15-18)39-11-13-40(14-12-39)29-34-10-9-24(37-29)35-16-26(43)36-22-6-2-5-20-21(22)17-41(28(20)45)23-7-8-25(42)38-27(23)44/h1-6,9-10,15,23H,7-8,11-14,16-17H2,(H,36,43)(H,34,35,37)(H,38,42,44)
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| InChIKey |
DUXOGWVIPNJZCP-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