General Information of the Compound
| Compound ID |
CP0504734
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| Compound Name |
[4-[[3-[1-(3,5-dimethyladamantane-1-carbonyl)piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C37H42N4O6S
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| Molecular Weight |
670.832
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| Canonical SMILES |
CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C37H42N4O6S/c1-35-17-25-18-36(2,21-35)23-37(19-25,22-35)33(43)40-14-11-27(12-15-40)41-30(32(42)39-34(41)44)16-24-6-8-28(9-7-24)47-48(45,46)31-5-3-4-26-20-38-13-10-29(26)31/h3-10,13,20,25,27,30H,11-12,14-19,21-23H2,1-2H3,(H,39,42,44)
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| InChIKey |
FIZNFIIDAJNQID-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