|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H16O5/c1-9-5-11-15(13(6-9)22-3)18(20)16-12(17(11)19)7-10(21-2)8-14(16)23-4/h5-8H,1-4H3
|
|
chemicalCompound:standardIn... |
HICKZJMJOXACIR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(OC)c2C(=O)c3c(OC)cc(C)cc3C(=O)c2c1
|
|
chemicalCompound:molecularF... |
C18H16O5
|
|
chemicalCompound:moleculeId |
60379
|
|
chemicalCompound:mwFreebase |
312.317
|
|
chemicalCompound:alogp |
3.245
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
61.83
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.208
|
|
chemicalCompound:acdLogD |
2.208
|
|
chemicalCompound:fullMwt |
312.317
|
|
chemicalCompound:chemblId |
CHEMBL428867
|
|
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:934352,
activity:934353,
activity:934354,
activity:934355,
activity:1059307,
activity:1059308,
activity:1059309,
activity:1149290,
activity:1149291,
activity:1149292,
activity:1149293,
activity:2449993,
activity:2450002,
activity:2450011,
activity:2450020,
activity:2450397,
activity:2450406
|
