|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
|
|
chemicalCompound:standardIn... |
VXIXUWQIVKSKSA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC1=CC(=O)Oc2ccccc12
|
|
chemicalCompound:molecularF... |
C9H6O3
|
|
chemicalCompound:moleculeId |
81746
|
|
chemicalCompound:mwFreebase |
162.142
|
|
chemicalCompound:alogp |
1.362
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.53
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.5
|
|
chemicalCompound:acdLogP |
1.964
|
|
chemicalCompound:acdLogD |
-0.839
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
162.142
|
|
chemicalCompound:chemblId |
CHEMBL301141
|
|
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 |
4-HYDROXYCOUMARINS
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:125110,
activity:125111,
activity:294250,
activity:294251,
activity:627399,
activity:784910,
activity:784911,
activity:1931972,
activity:2253971,
activity:2253982,
activity:2435376,
activity:3378435,
activity:3378444,
activity:3378453,
activity:3378464,
activity:3501354,
activity:3501370,
activity:3501386,
activity:3501401,
activity:3501416,
activity:6167826,
activity:7565047,
activity:7565048,
activity:7565049,
activity:7565050,
activity:7565051,
activity:7565052,
activity:7565053,
activity:7565054,
activity:7565055,
activity:7933057,
activity:7933060,
activity:7933073,
activity:8239875,
activity:8263708,
activity:8313320,
activity:8328293,
activity:8418363,
activity:8440512,
activity:8491246,
activity:8513886,
activity:8524848,
activity:8585620,
activity:8601526,
activity:8671080,
activity:8673680,
activity:8781866,
activity:8788978,
activity:8814250,
activity:8816753,
activity:8888650,
activity:8912979,
activity:8980731,
activity:9013841,
activity:9030602,
activity:9091027,
activity:9110942,
activity:9197889,
activity:9233006,
activity:9235355,
activity:9299400,
activity:9373293,
activity:9375907,
activity:9452789,
activity:9455384
|
