General Information of the Compound
| Compound ID |
CP0552798
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| Compound Name |
[4-[[4-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-2,5-dioxopyrrolidin-3-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C33H27ClF3N3O6S
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| Molecular Weight |
686.108
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)C1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C33H27ClF3N3O6S/c34-27-9-6-21(17-26(27)33(35,36)37)32(43)40-14-11-20(12-15-40)29-25(30(41)39-31(29)42)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-22-18-38-13-10-24(22)28/h1-10,13,17-18,20,25,29H,11-12,14-16H2,(H,39,41,42)
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| InChIKey |
DMZGPTZLZUXNMD-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