General Information of the Compound
| Compound ID |
CP0095595
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| Compound Name |
2-Bromo-hexadecanoic acid
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| Synonyms |
2-Bromopalmitate
2-bromopalmitate
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| Structure |
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| Formula |
C16H31BrO2
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| Molecular Weight |
335.326
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| Canonical SMILES |
CCCCCCCCCCCCCCC(Br)C(O)=O
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| InChI |
InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
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| InChIKey |
DPRAYRYQQAXQPE-UHFFFAOYSA-N
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| CAS |
40305-76-8
18263-25-7
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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
Protein ID: PT07567, Palmitoyltransferase ZDHHC2
Protein ID: PT07504, Palmitoyltransferase ZDHHC20
Clinical Information about the Compound