|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
|
|
chemicalCompound:standardIn... |
SWUARLUWKZWEBQ-VQHVLOKHSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
|
|
chemicalCompound:molecularF... |
C17H16O4
|
|
chemicalCompound:moleculeId |
171563
|
|
chemicalCompound:mwFreebase |
284.307
|
|
chemicalCompound:alogp |
3.573
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
66.76
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
9.323
|
|
chemicalCompound:acdLogP |
3.734
|
|
chemicalCompound:acdLogD |
3.726
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
284.307
|
|
chemicalCompound:chemblId |
CHEMBL319244
|
|
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:140761,
activity:630126,
activity:630127,
activity:941595,
activity:941596,
activity:941597,
activity:941598,
activity:941599,
activity:941600,
activity:950732,
activity:1006503,
activity:1433951,
activity:2133812,
activity:2133832,
activity:2133852,
activity:2134061,
activity:2134062,
activity:2134063,
activity:2134064,
activity:2134295,
activity:2134324,
activity:2134349,
activity:2134378,
activity:2243357,
activity:2243358,
activity:2243382,
activity:2309684,
activity:2309690,
activity:2309696,
activity:2320788,
activity:2321760,
activity:2321772,
activity:2321784,
activity:2321796,
activity:2321807,
activity:2321818,
activity:2321829,
activity:2321840,
activity:2321851,
activity:2321859,
activity:2323397,
activity:2323398,
activity:2432772,
activity:2432774,
activity:2432776,
activity:2432778,
activity:2487506,
activity:2487531,
activity:2487543,
activity:2487555,
activity:2487567,
activity:2532679,
activity:2532695,
activity:2532711,
activity:2532727,
activity:2532743,
activity:2532747,
activity:2538204,
activity:2657838,
activity:2657839,
activity:2662262,
activity:2662263,
activity:2670247,
activity:2670248,
activity:2909055,
activity:2909056,
activity:3022277
|
