General Information of the Compound
| Compound ID |
CP0398154
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| Compound Name |
[4-[[2,5-dioxo-3-(1-propanoylpiperidin-4-yl)imidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C27H28N4O6S
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| Molecular Weight |
536.61
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| Canonical SMILES |
CCC(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C27H28N4O6S/c1-2-25(32)30-14-11-20(12-15-30)31-23(26(33)29-27(31)34)16-18-6-8-21(9-7-18)37-38(35,36)24-5-3-4-19-17-28-13-10-22(19)24/h3-10,13,17,20,23H,2,11-12,14-16H2,1H3,(H,29,33,34)
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| InChIKey |
ZVQXRZWEXZPQPD-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