General Information of the Compound
| Compound ID |
CP0962534
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| Compound Name |
5-Pentanamido-9-(4-biphenyl)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic acid
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| Structure |
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| Formula |
C26H31NO7
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| Molecular Weight |
469.534
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| Canonical SMILES |
CCCCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)Cc2ccc(-c3ccccc3)cc2)OC(C(=O)O)=C[C@@H]1O
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| InChI |
InChI=1S/C26H31NO7/c1-2-3-9-22(30)27-23-19(28)15-21(26(32)33)34-25(23)24(31)20(29)14-16-10-12-18(13-11-16)17-7-5-4-6-8-17/h4-8,10-13,15,19-20,23-25,28-29,31H,2-3,9,14H2,1H3,(H,27,30)(H,32,33)/t19-,20+,23+,24+,25+/m0/s1
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| InChIKey |
ZOXNYSXLQIMQCW-CSTDLZQWSA-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