General Information of the Compound
| Compound ID |
CP0237453
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| Compound Name |
(3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-phenylethylamino)methyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C13H18N2O4
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| Molecular Weight |
266.297
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| Canonical SMILES |
OC[C@H](NC[C@H]1NC(=O)[C@H](O)[C@@H]1O)c1ccccc1
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| InChI |
InChI=1S/C13H18N2O4/c16-7-10(8-4-2-1-3-5-8)14-6-9-11(17)12(18)13(19)15-9/h1-5,9-12,14,16-18H,6-7H2,(H,15,19)/t9-,10+,11-,12-/m1/s1
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| InChIKey |
KRKSNZJFCXFNFF-WRWGMCAJSA-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