|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H38O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
|
|
chemicalCompound:standardIn... |
MEBDGIUGSQZVMA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCC(C)CCCCCCCCCCC(=O)O
|
|
chemicalCompound:molecularF... |
C19H38O2
|
|
chemicalCompound:moleculeId |
1314604
|
|
chemicalCompound:mwFreebase |
298.504
|
|
chemicalCompound:alogp |
7.557
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.29
|
|
chemicalCompound:rtb |
16
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
4.779
|
|
chemicalCompound:acdLogP |
8.184
|
|
chemicalCompound:acdLogD |
5.593
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
298.504
|
|
chemicalCompound:chemblId |
CHEMBL1993313
|
|
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:8259211,
activity:8308784,
activity:8323735,
activity:8413914,
activity:8486803,
activity:8506842,
activity:8520326,
activity:8597054,
activity:8652734,
activity:8666623,
activity:8669264,
activity:8773210,
activity:8784479,
activity:8805462,
activity:8908484,
activity:8937968,
activity:8976261,
activity:9020415,
activity:9081265,
activity:9086619,
activity:9106488,
activity:9154980,
activity:9193358,
activity:9228587,
activity:9230902,
activity:9294936,
activity:9310225,
activity:9368843,
activity:9371459,
activity:9448398,
activity:9450997,
activity:9692062,
activity:9698270,
activity:9725706,
activity:9796521,
activity:9901426,
activity:9939471,
activity:9972781,
activity:10084006,
activity:10089870,
activity:10091670,
activity:10177227,
activity:10193183,
activity:10291838,
activity:10340058,
activity:10382137,
activity:10431185,
activity:10451622,
activity:10488702,
activity:10507559,
activity:10555140,
activity:10600201,
activity:10615991,
activity:10618033,
activity:10709618,
activity:10791097,
activity:10806616,
activity:10815081
|
