General Information of the Compound
| Compound ID |
CP0398067
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| Compound Name |
tert-butyl 4-[[3-(isoquinolin-5-ylmethyl)-4-[(4-isoquinolin-5-ylsulfonyloxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C40H41N5O7S
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| Molecular Weight |
735.863
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CN2C(=O)C(Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)N(Cc3cccc4cnccc34)C2=O)CC1
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| InChI |
InChI=1S/C40H41N5O7S/c1-40(2,3)51-39(48)43-20-16-28(17-21-43)25-45-37(46)35(44(38(45)47)26-31-8-4-6-29-23-41-18-14-33(29)31)22-27-10-12-32(13-11-27)52-53(49,50)36-9-5-7-30-24-42-19-15-34(30)36/h4-15,18-19,23-24,28,35H,16-17,20-22,25-26H2,1-3H3
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| InChIKey |
NXRLMXJTUBMZCM-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