General Information of the Compound
| Compound ID |
CP0387378
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| Compound Name |
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-(heptanoylamino)-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C18H30N2O8
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| Molecular Weight |
402.444
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| Canonical SMILES |
CCCCCCC(=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/C18H30N2O8/c1-3-4-5-6-7-14(24)19-9-12(23)16(25)17-15(20-10(2)21)11(22)8-13(28-17)18(26)27/h8,11-12,15-17,22-23,25H,3-7,9H2,1-2H3,(H,19,24)(H,20,21)(H,26,27)/t11-,12+,15+,16+,17+/m0/s1
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| InChIKey |
GISCUZLERHYSAQ-IUNOTWKLSA-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