General Information of the Compound
| Compound ID |
CP0465929
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| Compound Name |
(3S,4S)-3-Hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one
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| Structure |
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| Formula |
C22H42O3
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| Molecular Weight |
354.575
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| Canonical SMILES |
CCCCCCCCCCC[C@H](O)C[C@@H]1OC(=O)[C@H]1CCCCCC
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| InChI |
InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21-20(22(24)25-21)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20-,21-/m0/s1
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| InChIKey |
RSOUWOFYULUWNE-ACRUOGEOSA-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