General Information of the Compound
| Compound ID |
CP0472355
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| Compound Name |
[4-[[3-[(1-benzylpiperidin-4-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C32H32N4O5S
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| Molecular Weight |
584.698
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| Canonical SMILES |
O=C1NC(=O)N(CC2CCN(Cc3ccccc3)CC2)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C32H32N4O5S/c37-31-29(36(32(38)34-31)22-25-14-17-35(18-15-25)21-24-5-2-1-3-6-24)19-23-9-11-27(12-10-23)41-42(39,40)30-8-4-7-26-20-33-16-13-28(26)30/h1-13,16,20,25,29H,14-15,17-19,21-22H2,(H,34,37,38)
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| InChIKey |
JMQOJPDBKOMHHD-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