General Information of the Compound
| Compound ID |
CP0381960
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| Compound Name |
[4-[[3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C29H32N4O6S
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| Molecular Weight |
564.664
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| Canonical SMILES |
CC(C)(C)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C29H32N4O6S/c1-29(2,3)27(35)32-15-12-21(13-16-32)33-24(26(34)31-28(33)36)17-19-7-9-22(10-8-19)39-40(37,38)25-6-4-5-20-18-30-14-11-23(20)25/h4-11,14,18,21,24H,12-13,15-17H2,1-3H3,(H,31,34,36)
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| InChIKey |
TUDPSQVXDQTCSY-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