|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H24O5/c1-20-15-9-8-13(10-16(15)21-2)6-7-14-11-17(22-3)19(24-5)18(12-14)23-4/h8-12H,6-7H2,1-5H3
|
|
chemicalCompound:standardIn... |
XKKZNLRWNSUNBW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1OC
|
|
chemicalCompound:molecularF... |
C19H24O5
|
|
chemicalCompound:moleculeId |
120866
|
|
chemicalCompound:mwFreebase |
332.391
|
|
chemicalCompound:alogp |
4.178
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
46.15
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.165
|
|
chemicalCompound:acdLogD |
3.165
|
|
chemicalCompound:fullMwt |
332.391
|
|
chemicalCompound:chemblId |
CHEMBL307158
|
|
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:220178,
activity:220179,
activity:220180,
activity:220181,
activity:1797989,
activity:1798000,
activity:1798006,
activity:2175835,
activity:2175844,
activity:2175852,
activity:2175863,
activity:2175874,
activity:2175883
|
