General Information of the Compound
| Compound ID |
CP0446403
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| Compound Name |
(2R,3R,4S)-3-benzamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C16H19NO8
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| Molecular Weight |
353.327
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| Canonical SMILES |
OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C16H19NO8/c18-7-10(20)13(21)14-12(9(19)6-11(25-14)16(23)24)17-15(22)8-4-2-1-3-5-8/h1-6,9-10,12-14,18-21H,7H2,(H,17,22)(H,23,24)/t9-,10+,12+,13+,14+/m0/s1
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| InChIKey |
GPIBPFWBIZYQEM-NRFQWKTPSA-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