General Information of the Compound
| Compound ID |
CP0398155
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| Compound Name |
[4-[[3-[1-(3-bromoadamantane-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 |
C35H37BrN4O6S
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| Molecular Weight |
721.674
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| Canonical SMILES |
BrC12CC3CC(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/C35H37BrN4O6S/c36-35-18-23-14-24(19-35)17-34(16-23,21-35)32(42)39-12-9-26(10-13-39)40-29(31(41)38-33(40)43)15-22-4-6-27(7-5-22)46-47(44,45)30-3-1-2-25-20-37-11-8-28(25)30/h1-8,11,20,23-24,26,29H,9-10,12-19,21H2,(H,38,41,43)
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| InChIKey |
RTUKQCPFPVFQFG-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