General Information of the Compound
| Compound ID |
CP0398153
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| Compound Name |
[4-[[3-(isoquinolin-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C29H22N4O5S
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| Molecular Weight |
538.585
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| Canonical SMILES |
O=C1NC(=O)N(Cc2cccc3cnccc23)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C29H22N4O5S/c34-28-26(33(29(35)32-28)18-22-5-1-3-20-16-30-13-11-24(20)22)15-19-7-9-23(10-8-19)38-39(36,37)27-6-2-4-21-17-31-14-12-25(21)27/h1-14,16-17,26H,15,18H2,(H,32,34,35)
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| InChIKey |
IBHSQORZEIDHAE-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