General Information of the Compound
| Compound ID |
CP0954501
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| Compound Name |
5-(2-Ethyl)hexanamido(S/R)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic acid
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| Structure |
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| Formula |
C17H29NO8
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| Molecular Weight |
375.418
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| Canonical SMILES |
CCCCC(CC)C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O
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| InChI |
InChI=1S/C17H29NO8/c1-3-5-6-9(4-2)16(23)18-13-10(20)7-12(17(24)25)26-15(13)14(22)11(21)8-19/h7,9-11,13-15,19-22H,3-6,8H2,1-2H3,(H,18,23)(H,24,25)/t9?,10-,11+,13+,14+,15+/m0/s1
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| InChIKey |
WGYGDLSGDNOTOG-WIIOAANXSA-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