General Information of the Compound
| Compound ID |
CP0465932
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| Compound Name |
4-Methylpentanoic Acid (1S)-1-[[(2S,3S-3-Hexyl-4-oxo-2-oxetanyl]methyl]dodecyl Ester
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| Structure |
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| Formula |
C28H52O4
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| Molecular Weight |
452.72
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| Canonical SMILES |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCC(C)C
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| InChI |
InChI=1S/C28H52O4/c1-5-7-9-11-12-13-14-15-16-18-24(31-27(29)21-20-23(3)4)22-26-25(28(30)32-26)19-17-10-8-6-2/h23-26H,5-22H2,1-4H3/t24-,25-,26-/m0/s1
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| InChIKey |
CXHBRYSNTUYIQW-GSDHBNRESA-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