General Information of the Compound
| Compound ID |
CP0472345
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| Compound Name |
[4-[[3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H26ClFN4O6S
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| Molecular Weight |
637.089
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| Canonical SMILES |
Fc1cc(Cl)ccc1C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C31H26ClFN4O6S/c32-21-6-9-25(26(33)17-21)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-20-18-34-13-10-24(20)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)
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| InChIKey |
PMQXWQKLBDWMNZ-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