General Information of the Compound
| Compound ID |
CP0536335
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| Compound Name |
(2R,3R,4S)-2-[(1R,2R)-1,2-dihydroxy-3-(pentanoylamino)propyl]-4-hydroxy-3-(pentanoylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C19H32N2O8
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| Molecular Weight |
416.471
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| Canonical SMILES |
CCCCC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CCCC)C(O)=O
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| InChI |
InChI=1S/C19H32N2O8/c1-3-5-7-14(24)20-10-12(23)17(26)18-16(21-15(25)8-6-4-2)11(22)9-13(29-18)19(27)28/h9,11-12,16-18,22-23,26H,3-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,27,28)/t11-,12+,16+,17+,18+/m0/s1
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| InChIKey |
UEHNEQXDXYLLQJ-CEIJYURPSA-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