General Information of the Compound
| Compound ID |
CP0400695
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| Compound Name |
tert-butyl 4-[2-[5-[(4-isoquinolin-5-ylsulfonyloxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C31H36N4O7S
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| Molecular Weight |
608.717
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCN2C(Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)C(=O)NC2=O)CC1
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| InChI |
InChI=1S/C31H36N4O7S/c1-31(2,3)41-30(38)34-16-12-21(13-17-34)14-18-35-26(28(36)33-29(35)37)19-22-7-9-24(10-8-22)42-43(39,40)27-6-4-5-23-20-32-15-11-25(23)27/h4-11,15,20-21,26H,12-14,16-19H2,1-3H3,(H,33,36,37)
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| InChIKey |
CYLDECDMQDOILW-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