General Information of the Compound
| Compound ID |
CP0556281
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| Compound Name |
[4-[[2,5-dioxo-3-[1-(tricyclo[3.3.1.03,7]nonane-3-carbonyl)piperidin-4-yl]imidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C34H36N4O6S
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| Molecular Weight |
628.751
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| Canonical SMILES |
O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)C12CC3CC1CC(C2)C3
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| InChI |
InChI=1S/C34H36N4O6S/c39-31-29(17-21-4-6-27(7-5-21)44-45(42,43)30-3-1-2-24-20-35-11-8-28(24)30)38(33(41)36-31)26-9-12-37(13-10-26)32(40)34-18-22-14-23(19-34)16-25(34)15-22/h1-8,11,20,22-23,25-26,29H,9-10,12-19H2,(H,36,39,41)
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| InChIKey |
XIXQJRALEZXJKQ-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