|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
|
|
chemicalCompound:standardIn... |
RUVINXPYWBROJD-ONEGZZNKSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(\C=C\C)cc1
|
|
chemicalCompound:molecularF... |
C10H12O
|
|
chemicalCompound:moleculeId |
445000
|
|
chemicalCompound:mwFreebase |
148.202
|
|
chemicalCompound:alogp |
2.767
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
9.23
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.382
|
|
chemicalCompound:acdLogD |
3.382
|
|
chemicalCompound:fullMwt |
148.202
|
|
chemicalCompound:chemblId |
CHEMBL452630
|
|
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 |
ANETHOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2259283,
activity:2310153,
activity:2310176,
activity:2310189,
activity:2310209,
activity:2310216,
activity:2310224,
activity:2310227,
activity:2310231,
activity:2310233,
activity:2310235,
activity:2310237,
activity:2310244,
activity:2436535,
activity:2436541,
activity:2436547,
activity:2437905,
activity:2438565,
activity:2438580,
activity:2438594,
activity:3719154,
activity:4153270
|
