|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
|
|
chemicalCompound:standardIn... |
ZQSIJRDFPHDXIC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
|
|
chemicalCompound:molecularF... |
C15H10O4
|
|
chemicalCompound:moleculeId |
3281
|
|
chemicalCompound:mwFreebase |
254.238
|
|
chemicalCompound:alogp |
2.382
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
66.76
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.009
|
|
chemicalCompound:acdLogP |
2.632
|
|
chemicalCompound:acdLogD |
2.107
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
254.238
|
|
chemicalCompound:chemblId |
CHEMBL8145
|
|
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 |
DIADZEIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:59659,
activity:659805,
activity:659806,
activity:659807,
activity:659808,
activity:659809,
activity:659810,
activity:659811,
activity:659812,
activity:659813,
activity:659814,
activity:659815,
activity:659816,
activity:659817,
activity:768006,
activity:768007,
activity:781615,
activity:781616,
activity:1042056,
activity:1042057,
activity:1042058,
activity:1042059,
activity:1042060,
activity:1042061,
activity:1064905,
activity:1109775,
activity:1278228,
activity:1278229,
activity:1278230,
activity:1278231,
activity:1506796,
activity:1506797,
activity:1506798,
activity:1506799,
activity:1506800,
activity:1506801,
activity:1617910,
activity:1719551,
activity:1719552,
activity:1719553,
activity:1719554,
activity:1719555,
activity:1723869,
activity:1723875,
activity:1723881,
activity:2058211,
activity:2058212,
activity:2058213,
activity:2058255,
activity:2058256,
activity:2071326,
activity:2155135,
activity:2155176,
activity:2155191,
activity:2155210,
activity:2155225,
activity:2155231,
activity:2174358,
activity:2175775,
activity:2176246,
activity:2176258,
activity:2176273,
activity:2179249
|
