|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
|
|
chemicalCompound:standardIn... |
ATEFPOUAMCWAQS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2C=CC(=O)Oc2c1O
|
|
chemicalCompound:molecularF... |
C9H6O4
|
|
chemicalCompound:moleculeId |
390097
|
|
chemicalCompound:mwFreebase |
178.142
|
|
chemicalCompound:alogp |
1.415
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
66.76
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.613
|
|
chemicalCompound:acdLogP |
0.884
|
|
chemicalCompound:acdLogD |
0.569
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
178.142
|
|
chemicalCompound:chemblId |
CHEMBL244948
|
|
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 |
DAPHNETIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1931969,
activity:2080839,
activity:2080851,
activity:2136920,
activity:2136921,
activity:2136922,
activity:2323417,
activity:2824299,
activity:2841610,
activity:2842366,
activity:2850044,
activity:2854999,
activity:2855398,
activity:3472855,
activity:3488244,
activity:3489009,
activity:3489119,
activity:3489120,
activity:3489121,
activity:3489122,
activity:3489123,
activity:3635081,
activity:3639811,
activity:3685188,
activity:3692435,
activity:3696189,
activity:3701063,
activity:3718499,
activity:3804620,
activity:3886466,
activity:3929112,
activity:3941312,
activity:3989056,
activity:4020813,
activity:4052774,
activity:4069517,
activity:4153768,
activity:4278732,
activity:4358718,
activity:4407119,
activity:4444753,
activity:4505850,
activity:4536033,
activity:4538366,
activity:4609551,
activity:4715430,
activity:4768498,
activity:4805520,
activity:4820284,
activity:4829327,
activity:4853751,
activity:4909095,
activity:4961691,
activity:4970384,
activity:4977451,
activity:5029239,
activity:5039308,
activity:5042649,
activity:5070271,
activity:5522066,
activity:5569990,
activity:5570048,
activity:5570162,
activity:5707997,
activity:5710829
|
