General Information of the Compound
| Compound ID |
CP0141449
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| Compound Name |
(2R,3R,4R,5S)-1-hexyl-2-(hydroxymethyl)piperidine-3,4,5-triol
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| Structure |
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| Formula |
C12H25NO4
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| Molecular Weight |
247.335
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| Canonical SMILES |
CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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| InChI |
InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1
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| InChIKey |
KRNOSIJCJVCXKU-WRWGMCAJSA-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