General Information of the Compound
| Compound ID |
CP0498952
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| Compound Name |
tert-butyl 4-[[(4S)-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 |
C30H34N4O7S
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| Molecular Weight |
594.69
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CN2C(=O)N[C@@H](Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)C2=O)CC1
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| InChI |
InChI=1S/C30H34N4O7S/c1-30(2,3)40-29(37)33-15-12-21(13-16-33)19-34-27(35)25(32-28(34)36)17-20-7-9-23(10-8-20)41-42(38,39)26-6-4-5-22-18-31-14-11-24(22)26/h4-11,14,18,21,25H,12-13,15-17,19H2,1-3H3,(H,32,36)/t25-/m0/s1
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| InChIKey |
HSTYYMKXTDTGRC-VWLOTQADSA-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