General Information of the Compound
| Compound ID |
CP0381972
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| Compound Name |
[4-[[3-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C36H40N4O6S
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| Molecular Weight |
656.805
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| Canonical SMILES |
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C36H40N4O6S/c41-33(21-36-18-24-14-25(19-36)16-26(15-24)20-36)39-12-9-28(10-13-39)40-31(34(42)38-35(40)43)17-23-4-6-29(7-5-23)46-47(44,45)32-3-1-2-27-22-37-11-8-30(27)32/h1-8,11,22,24-26,28,31H,9-10,12-21H2,(H,38,42,43)
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| InChIKey |
KXOLXQXCKOQZIX-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