General Information of the Compound
| Compound ID |
CP0534609
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| Compound Name |
(2R,3R,4S)-4-hydroxy-3-(4-methylpentanoylamino)-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 |
C15H25NO8
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| Molecular Weight |
347.364
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| Canonical SMILES |
CC(C)CCC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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| InChI |
InChI=1S/C15H25NO8/c1-7(2)3-4-11(20)16-12-8(18)5-10(15(22)23)24-14(12)13(21)9(19)6-17/h5,7-9,12-14,17-19,21H,3-4,6H2,1-2H3,(H,16,20)(H,22,23)/t8-,9+,12+,13+,14+/m0/s1
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| InChIKey |
QDIVMKBNGSVEFX-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