|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
|
|
chemicalCompound:standardIn... |
QBPFLULOKWLNNW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
|
|
chemicalCompound:molecularF... |
C14H8O4
|
|
chemicalCompound:moleculeId |
82895
|
|
chemicalCompound:mwFreebase |
240.211
|
|
chemicalCompound:alogp |
2.324
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
74.59
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.265
|
|
chemicalCompound:acdLogP |
4.003
|
|
chemicalCompound:acdLogD |
2.43
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
240.211
|
|
chemicalCompound:chemblId |
CHEMBL53418
|
|
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 |
CHRYSAZIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:99935,
activity:99936,
activity:99937,
activity:99938,
activity:99939,
activity:99940,
activity:234751,
activity:234752,
activity:234753,
activity:860754,
activity:860755,
activity:860756,
activity:1044715,
activity:1044716,
activity:1044717,
activity:1868312,
activity:1868335,
activity:2058302,
activity:2058307,
activity:2058311,
activity:2058316,
activity:2058320,
activity:2058321,
activity:2058327,
activity:2058332,
activity:2058339,
activity:2058342,
activity:2058345,
activity:2058348,
activity:2177214,
activity:2177231,
activity:2177248,
activity:2434204,
activity:2434255,
activity:2434306,
activity:2434357,
activity:2434420,
activity:2434495,
activity:2435571,
activity:2435605,
activity:2450392,
activity:2534395,
activity:2534396,
activity:2897068,
activity:3207285,
activity:3207292,
activity:3207305,
activity:3607776,
activity:3625530,
activity:3626272,
activity:3686957,
activity:3761039,
activity:3774726,
activity:3778229,
activity:3867860,
activity:3894540,
activity:3903945,
activity:3911127,
activity:3919638,
activity:3934916,
activity:3942291,
activity:3949420,
activity:4027601,
activity:4036128
|
