General Information of the Compound
| Compound ID |
CP0400675
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| Compound Name |
[4-[[3-[1-(2-chlorobenzoyl)piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H27ClN4O6S
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| Molecular Weight |
619.099
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| Canonical SMILES |
Clc1ccccc1C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C31H27ClN4O6S/c32-26-6-2-1-5-25(26)30(38)35-16-13-22(14-17-35)36-27(29(37)34-31(36)39)18-20-8-10-23(11-9-20)42-43(40,41)28-7-3-4-21-19-33-15-12-24(21)28/h1-12,15,19,22,27H,13-14,16-18H2,(H,34,37,39)
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| InChIKey |
NCGFXPWRTKBQNF-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