|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
|
|
chemicalCompound:standardIn... |
RRAFCDWBNXTKKO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(CC=C)ccc1O
|
|
chemicalCompound:molecularF... |
C10H12O2
|
|
chemicalCompound:moleculeId |
62815
|
|
chemicalCompound:mwFreebase |
164.201
|
|
chemicalCompound:alogp |
2.579
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
29.46
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.292
|
|
chemicalCompound:acdLogP |
2.403
|
|
chemicalCompound:acdLogD |
2.403
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
164.201
|
|
chemicalCompound:chemblId |
CHEMBL42710
|
|
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 |
EUGENOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1027858,
activity:1264006,
activity:1430369,
activity:1430370,
activity:2133301,
activity:2179433,
activity:2214785,
activity:2310175,
activity:2310188,
activity:2310223,
activity:2310241,
activity:2310243,
activity:2310248,
activity:2310252,
activity:2310261,
activity:2310273,
activity:2310278,
activity:2310284,
activity:2310289,
activity:2310766,
activity:2310775,
activity:2310779,
activity:2310783,
activity:2310787,
activity:2310791,
activity:2313876,
activity:2313911,
activity:2313915,
activity:2315683,
activity:2315695,
activity:2315707,
activity:2315719,
activity:2315729,
activity:2315739,
activity:2323429,
activity:2323430,
activity:2324448,
activity:2324450,
activity:2329496,
activity:2330506,
activity:2330507,
activity:2330508,
activity:2347239,
activity:2347243,
activity:2347250,
activity:2437904,
activity:2438568,
activity:2438583,
activity:2438597,
activity:2540174,
activity:2540205,
activity:2540235,
activity:2540265,
activity:2541332,
activity:2541372,
activity:2541407,
activity:2541442,
activity:2541477,
activity:2541512,
activity:2541547,
activity:2541583,
activity:2541619,
activity:2542694,
activity:2542730,
activity:2542766
|
