General Information of the Compound
| Compound ID |
CP0438776
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| Compound Name |
methyl (2S,3R)-3-hydroxy-2-methyldecanoate
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| Structure |
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| Formula |
C12H24O3
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| Molecular Weight |
216.321
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| Canonical SMILES |
CCCCCCC[C@@H](O)[C@H](C)C(=O)OC
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| InChI |
InChI=1S/C12H24O3/c1-4-5-6-7-8-9-11(13)10(2)12(14)15-3/h10-11,13H,4-9H2,1-3H3/t10-,11+/m0/s1
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| InChIKey |
XDMSJOJQHDWIDO-WDEREUQCSA-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