General Information of the Compound
| Compound ID |
CP0261402
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| Compound Name |
(2S,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
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| Structure |
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| Formula |
C10H19NO2
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| Molecular Weight |
185.267
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| Canonical SMILES |
CCCCN1CC=C[C@@H](O)[C@@H]1CO
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| InChI |
InChI=1S/C10H19NO2/c1-2-3-6-11-7-4-5-10(13)9(11)8-12/h4-5,9-10,12-13H,2-3,6-8H2,1H3/t9-,10+/m0/s1
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| InChIKey |
NHPSLFSVHQQWQU-VHSXEESVSA-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