|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
|
|
chemicalCompound:standardIn... |
ORHBXUUXSCNDEV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2C=CC(=O)Oc2c1
|
|
chemicalCompound:molecularF... |
C9H6O3
|
|
chemicalCompound:moleculeId |
78197
|
|
chemicalCompound:mwFreebase |
162.142
|
|
chemicalCompound:alogp |
1.657
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.53
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.89
|
|
chemicalCompound:acdLogP |
1.58
|
|
chemicalCompound:acdLogD |
1.458
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
162.142
|
|
chemicalCompound:chemblId |
CHEMBL51628
|
|
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 |
UMBELLIFERONE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:139635,
activity:235826,
activity:600200,
activity:619994,
activity:1042681,
activity:1288000,
activity:1608673,
activity:1608674,
activity:1608675,
activity:1608676,
activity:1608677,
activity:1608678,
activity:1608679,
activity:1608680,
activity:1608681,
activity:1608682,
activity:1608683,
activity:1608684,
activity:1608685,
activity:1608686,
activity:1608687,
activity:1608688,
activity:1608689,
activity:1608690,
activity:1608691,
activity:1608692,
activity:1931971,
activity:2043618,
activity:2107167,
activity:2176352,
activity:2176418,
activity:2192252,
activity:2253972,
activity:2253983,
activity:2307656,
activity:2313872,
activity:2329642,
activity:2329655,
activity:2329668,
activity:2329681,
activity:2333190,
activity:2333193,
activity:2333194,
activity:2435377,
activity:2437719,
activity:2542786,
activity:2542787,
activity:2542788,
activity:2542815,
activity:2542816,
activity:2542817,
activity:2604386,
activity:2604398,
activity:2604410,
activity:2604422,
activity:2604434,
activity:2604444,
activity:2604470,
activity:2604473,
activity:2606139,
activity:3378442,
activity:3378451,
activity:3378457,
activity:3378466
|
