General Information of the Compound
| Compound ID |
CP0504733
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| Compound Name |
[4-[[3-(1-butanoylpiperidin-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C28H30N4O6S
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| Molecular Weight |
550.637
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| Canonical SMILES |
CCCC(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C28H30N4O6S/c1-2-4-26(33)31-15-12-21(13-16-31)32-24(27(34)30-28(32)35)17-19-7-9-22(10-8-19)38-39(36,37)25-6-3-5-20-18-29-14-11-23(20)25/h3,5-11,14,18,21,24H,2,4,12-13,15-17H2,1H3,(H,30,34,35)
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| InChIKey |
PAYMNIONGIBHLQ-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