General Information of the Compound
| Compound ID |
CP0546595
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| Compound Name |
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-(butanoylamino)-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C15H24N2O8
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| Molecular Weight |
360.363
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| Canonical SMILES |
CCCC(=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/C15H24N2O8/c1-3-4-11(21)16-6-9(20)13(22)14-12(17-7(2)18)8(19)5-10(25-14)15(23)24/h5,8-9,12-14,19-20,22H,3-4,6H2,1-2H3,(H,16,21)(H,17,18)(H,23,24)/t8-,9+,12+,13+,14+/m0/s1
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| InChIKey |
HDVFVFWGTRXVSQ-ZZEHVWSGSA-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