|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
|
|
chemicalCompound:standardIn... |
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1Oc2ccccc2C=C1
|
|
chemicalCompound:molecularF... |
C9H6O2
|
|
chemicalCompound:moleculeId |
1256
|
|
chemicalCompound:mwFreebase |
146.143
|
|
chemicalCompound:alogp |
1.899
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
26.3
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.39
|
|
chemicalCompound:acdLogD |
1.39
|
|
chemicalCompound:fullMwt |
146.143
|
|
chemicalCompound:chemblId |
CHEMBL6466
|
|
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 |
COUMARIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:176990,
activity:229990,
activity:229991,
activity:245494,
activity:245495,
activity:364984,
activity:364985,
activity:364986,
activity:364987,
activity:364988,
activity:364989,
activity:364990,
activity:364991,
activity:364992,
activity:364993,
activity:364994,
activity:364995,
activity:364996,
activity:364997,
activity:364998,
activity:364999,
activity:365000,
activity:365001,
activity:365002,
activity:365003,
activity:365004,
activity:391634,
activity:391635,
activity:391636,
activity:592580,
activity:607288,
activity:867286,
activity:867287,
activity:867288,
activity:867289,
activity:1056351,
activity:1270347,
activity:1514650,
activity:1514651,
activity:1609198,
activity:1609199,
activity:1609200,
activity:1609201,
activity:1609202,
activity:1879205,
activity:1879359,
activity:1879360,
activity:1879450,
activity:2058664,
activity:2092700,
activity:2092713,
activity:2092714,
activity:2176351,
activity:2176358,
activity:2176363,
activity:2176368,
activity:2176372,
activity:2176377,
activity:2176382,
activity:2176387,
activity:2176392,
activity:2176397,
activity:2176402,
activity:2176407,
activity:2176412
|
