General Information of the Compound
| Compound ID |
CP0542492
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| Compound Name |
[4-[[3-(1-benzylpiperidin-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H30N4O5S
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| Molecular Weight |
570.671
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| Canonical SMILES |
O=C1NC(=O)N(C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C31H30N4O5S/c36-30-28(35(31(37)33-30)25-14-17-34(18-15-25)21-23-5-2-1-3-6-23)19-22-9-11-26(12-10-22)40-41(38,39)29-8-4-7-24-20-32-16-13-27(24)29/h1-13,16,20,25,28H,14-15,17-19,21H2,(H,33,36,37)
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| InChIKey |
SIUBGLIPNZJSDH-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