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Pyrrolidine; N-Hexadecanoyl 

AlkaPlorer ID: AK043807

Synonym: N-Hexadecanoylpyrrolidine, Hexadecanoic acid pyrrolidide, N-Palmitoylpyrrolidine, Alkaloid MQ-B2 

IUPAC Name: 1-pyrrolidin-1-ylhexadecan-1-one

Structure

SMILES: CCCCCCCCCCCCCCCC(=O)N1CCCC1

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InChI: InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3

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InChIKey: ULDNZNZTSYZQKK-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 309.53800000000007

TPSA？: 20.31

MolLogP？: 6.090100000000006

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 5.5 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens 786-0 TGI 16.1 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens HaCaT LC50 4.8 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens HaCaT TGI 12.9 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens MCF7 GI50 4.6 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens MCF7 TGI 13.2 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens NCI/ADR-RES GI50 4.6 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens NCI/ADR-RES TGI 30.0 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens NCI-H460 GI50 5.9 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens NCI-H460 TGI 33.5 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens U-251 GI50 4.6 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens U-251 TGI 11.4 ug.mL-1 10.1016/j.bmc.2014.11.019
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 25.0 ug.mL-1 10.1016/j.bmcl.2010.06.149
None NON-PROTEIN TARGET GI50 4.7 ug.mL-1 10.1016/j.bmc.2014.11.019
None NON-PROTEIN TARGET GI50 6.3 ug.mL-1 10.1016/j.bmc.2014.11.019
None NON-PROTEIN TARGET TGI 12.2 ug.mL-1 10.1016/j.bmc.2014.11.019
None NON-PROTEIN TARGET TGI 22.9 ug.mL-1 10.1016/j.bmc.2014.11.019

Metabolism Information