|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
|
|
chemicalCompound:standardIn... |
IPCSVZSSVZVIGE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCCCCCCCCCCC(=O)O
|
|
chemicalCompound:molecularF... |
C16H32O2
|
|
chemicalCompound:moleculeId |
133028
|
|
chemicalCompound:mwFreebase |
256.424
|
|
chemicalCompound:alogp |
6.393
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.29
|
|
chemicalCompound:rtb |
14
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
4.779
|
|
chemicalCompound:acdLogP |
6.811
|
|
chemicalCompound:acdLogD |
4.22
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
256.424
|
|
chemicalCompound:chemblId |
CHEMBL82293
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PALMITIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:285080,
activity:285081,
activity:285082,
activity:285083,
activity:285084,
activity:285085,
activity:285086,
activity:285087,
activity:285088,
activity:285089,
activity:285090,
activity:285091,
activity:285092,
activity:285093,
activity:285094,
activity:285095,
activity:285096,
activity:285097,
activity:285098,
activity:285099,
activity:285100,
activity:285101,
activity:285102,
activity:285103,
activity:285104,
activity:285105,
activity:285106,
activity:285107,
activity:285108,
activity:285109,
activity:294837,
activity:294838,
activity:294839,
activity:294840,
activity:294841,
activity:294842,
activity:294843,
activity:294844,
activity:294845,
activity:294846,
activity:294847,
activity:294848,
activity:294849,
activity:294850,
activity:294851,
activity:294852,
activity:294853,
activity:294854,
activity:294855,
activity:294856,
activity:294857,
activity:294858,
activity:294859,
activity:294860,
activity:294861,
activity:294862,
activity:294863,
activity:294864,
activity:294865,
activity:294866,
activity:810812,
activity:942338,
activity:1221478,
activity:1444783
|
