General Information of the Compound
| Compound ID |
CP0556733
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| Compound Name |
[4-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H34N4O6S
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| Molecular Weight |
590.702
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| Canonical SMILES |
O=C(C1CCCCC1)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C31H34N4O6S/c36-29-27(35(31(38)33-29)24-14-17-34(18-15-24)30(37)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)41-42(39,40)28-8-4-7-23-20-32-16-13-26(23)28/h4,7-13,16,20,22,24,27H,1-3,5-6,14-15,17-19H2,(H,33,36,38)
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| InChIKey |
XEPLYNYPNRAFTK-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