General Information of the Compound
| Compound ID |
CP0467213
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| Compound Name |
(4S,5R,6R)-5-acetamido-6-((1S,2S)-3-acetamido-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid
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| Structure |
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| Formula |
C13H20N2O8
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| Molecular Weight |
332.309
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| Canonical SMILES |
CC(=O)NC[C@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O
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| InChI |
InChI=1S/C13H20N2O8/c1-5(16)14-4-8(19)11(20)12-10(15-6(2)17)7(18)3-9(23-12)13(21)22/h3,7-8,10-12,18-20H,4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8-,10+,11-,12+/m0/s1
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| InChIKey |
YRKAPNGJDCSEMY-YOCAVLTLSA-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