General Information of the Compound
| Compound ID |
CP0955517
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| Compound Name |
5-(2-Methyl)hexanamido(S/R)-9-acetanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-enonic 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 |
CCCCC(C)C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(C)=O)OC(C(=O)O)=C[C@@H]1O
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| InChI |
InChI=1S/C18H30N2O8/c1-4-5-6-9(2)17(25)20-14-11(22)7-13(18(26)27)28-16(14)15(24)12(23)8-19-10(3)21/h7,9,11-12,14-16,22-24H,4-6,8H2,1-3H3,(H,19,21)(H,20,25)(H,26,27)/t9?,11-,12+,14+,15+,16+/m0/s1
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| InChIKey |
JPVQMZNIQVEWTK-CSDXBVQQSA-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