General Information of the Compound
| Compound ID |
CP0289178
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| Compound Name |
(R)-2-(((2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl)methylamino)-2-phenylethyl 4-bromobenzoate
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| Structure |
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| Formula |
C20H23BrN2O4
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| Molecular Weight |
435.318
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| Canonical SMILES |
O[C@H]1CN[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@H]1O
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| InChI |
InChI=1S/C20H23BrN2O4/c21-15-8-6-14(7-9-15)20(26)27-12-17(13-4-2-1-3-5-13)22-10-16-19(25)18(24)11-23-16/h1-9,16-19,22-25H,10-12H2/t16-,17+,18+,19-/m1/s1
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| InChIKey |
DMUHMLRTLZPLJQ-YDZRNGNQSA-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