General Information of the Compound
Compound ID |
CP0379051
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Compound Name |
[4-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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Structure |
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Formula |
C33H34N4O5S
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Molecular Weight |
598.725
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Canonical SMILES |
O=C1NC(=O)N(CCC2CCN(Cc3ccccc3)CC2)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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InChI |
InChI=1S/C33H34N4O5S/c38-32-30(37(33(39)35-32)20-16-24-14-18-36(19-15-24)23-26-5-2-1-3-6-26)21-25-9-11-28(12-10-25)42-43(40,41)31-8-4-7-27-22-34-17-13-29(27)31/h1-13,17,22,24,30H,14-16,18-21,23H2,(H,35,38,39)
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InChIKey |
LATVSSPVIUYXJY-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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