General Information of the Compound
| Compound ID |
CP0281764
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| Compound Name |
(R)-2-(((2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxopyrrolidin-2-yl)methylamino)-2-phenylethyl 4-bromobenzoate
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| Structure |
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| Formula |
C21H23BrN2O5
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| Molecular Weight |
463.328
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| Canonical SMILES |
CN1[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@@H](O)[C@@H](O)C1=O
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| InChI |
InChI=1S/C21H23BrN2O5/c1-24-17(18(25)19(26)20(24)27)11-23-16(13-5-3-2-4-6-13)12-29-21(28)14-7-9-15(22)10-8-14/h2-10,16-19,23,25-26H,11-12H2,1H3/t16-,17+,18+,19+/m0/s1
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| InChIKey |
LKHOPRZQBRZOTI-WJFTUGDTSA-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
Protein ID: PT03480, Lysosomal alpha-mannosidase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000419 | HCE-T | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 100000 nM
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TI
LI
LO
TS
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