|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-12,15-18H2,1H3,(H,20,21)
|
|
chemicalCompound:standardIn... |
IHVJOQPMHFEHNY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCCCCCCCC#CCCCCC(=O)O
|
|
chemicalCompound:molecularF... |
C19H34O2
|
|
chemicalCompound:moleculeId |
445184
|
|
chemicalCompound:mwFreebase |
294.472
|
|
chemicalCompound:alogp |
7.439
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.29
|
|
chemicalCompound:rtb |
16
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
4.686
|
|
chemicalCompound:acdLogP |
7.244
|
|
chemicalCompound:acdLogD |
4.567
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
294.472
|
|
chemicalCompound:chemblId |
CHEMBL454322
|
|
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:activity |
activity:2423561,
activity:2423566,
activity:2423571,
activity:2423576,
activity:2423581,
activity:2423586,
activity:2423591,
activity:2423596,
activity:2423605,
activity:2423606,
activity:2423607,
activity:2423608,
activity:2423609,
activity:2423615,
activity:2423616,
activity:2423617,
activity:2423624,
activity:2423625,
activity:2423626,
activity:2423633,
activity:2423634,
activity:2423635,
activity:2423642,
activity:2423643,
activity:2423644,
activity:2423651,
activity:2423652,
activity:2423653,
activity:3565464,
activity:3565469,
activity:3565470,
activity:3565479,
activity:3565486,
activity:3565487,
activity:3565488,
activity:3565497,
activity:3565504,
activity:3565512,
activity:3565518,
activity:3565521,
activity:3565525,
activity:3565526,
activity:3565527,
activity:3565528,
activity:3565529,
activity:3565530,
activity:3565531,
activity:3565532,
activity:3565533,
activity:3565538,
activity:3565540,
activity:3565541,
activity:3565542,
activity:3565547,
activity:3565548,
activity:3565553,
activity:3565554,
activity:3565555,
activity:3565562,
activity:3565570,
activity:3565574,
activity:3565575,
activity:3565587,
activity:3565590,
activity:3565596,
activity:3565682
|
