General Information of the Compound
| Compound ID |
CP0398069
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| Compound Name |
[4-[[3-[(1-benzoylpiperidin-4-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C32H30N4O6S
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| Molecular Weight |
598.681
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| Canonical SMILES |
O=C(N1CCC(CN2C(Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)C(=O)NC2=O)CC1)c1ccccc1
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| InChI |
InChI=1S/C32H30N4O6S/c37-30-28(36(32(39)34-30)21-23-14-17-35(18-15-23)31(38)24-5-2-1-3-6-24)19-22-9-11-26(12-10-22)42-43(40,41)29-8-4-7-25-20-33-16-13-27(25)29/h1-13,16,20,23,28H,14-15,17-19,21H2,(H,34,37,39)
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| InChIKey |
PASRPGOEFLIQSJ-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