General Information of the Compound
| Compound ID |
CP0956726
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| Compound Name |
5-(2-Ethyl)hexanamido(S/R)-9-acetanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic 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(CC)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/C19H32N2O8/c1-4-6-7-11(5-2)18(26)21-15-12(23)8-14(19(27)28)29-17(15)16(25)13(24)9-20-10(3)22/h8,11-13,15-17,23-25H,4-7,9H2,1-3H3,(H,20,22)(H,21,26)(H,27,28)/t11?,12-,13+,15+,16+,17+/m0/s1
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| InChIKey |
RJJWXGACDFUDMH-DXJFIHPOSA-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