General Information of the Compound
| Compound ID |
CP0430617
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| Compound Name |
(2S,3R,4S)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol
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| Structure |
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| Formula |
C10H21NO3
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| Molecular Weight |
203.282
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| Canonical SMILES |
CCCCN1CC[C@H](O)[C@H](O)[C@@H]1CO
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| InChI |
InChI=1S/C10H21NO3/c1-2-3-5-11-6-4-9(13)10(14)8(11)7-12/h8-10,12-14H,2-7H2,1H3/t8-,9-,10+/m0/s1
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| InChIKey |
IODUPADKAVXSTI-LPEHRKFASA-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