|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
|
|
chemicalCompound:standardIn... |
CDAWCLOXVUBKRW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccccc1O
|
|
chemicalCompound:molecularF... |
C6H7NO
|
|
chemicalCompound:moleculeId |
35130
|
|
chemicalCompound:mwFreebase |
109.126
|
|
chemicalCompound:alogp |
0.841
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
46.25
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.76
|
|
chemicalCompound:acdLogP |
0.497
|
|
chemicalCompound:acdLogD |
0.494
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
109.126
|
|
chemicalCompound:acdMostBpk... |
4.741
|
|
chemicalCompound:chemblId |
CHEMBL28319
|
|
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 |
QUESTIOMYCIN B
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:318416,
activity:505913,
activity:794753,
activity:794754,
activity:794755,
activity:794756,
activity:794757,
activity:1794264,
activity:1794266,
activity:1794268,
activity:1794270,
activity:1794272,
activity:1794274,
activity:1794276,
activity:1794278,
activity:1794280,
activity:1794282,
activity:1794284,
activity:1794286,
activity:1845240,
activity:1845281,
activity:1845466,
activity:3657990,
activity:3774757,
activity:3902800,
activity:3912307,
activity:4078759,
activity:4296181,
activity:4467584,
activity:4586705,
activity:4670747,
activity:4718990,
activity:4723453,
activity:4868866,
activity:4872832,
activity:5621455,
activity:6074916,
activity:6511037,
activity:6558765,
activity:6742914,
activity:6941779,
activity:6958435,
activity:7050805,
activity:7069802,
activity:7076355,
activity:7168514,
activity:7281063,
activity:7565284,
activity:7565285,
activity:7565374,
activity:7565375,
activity:7565376,
activity:7565377
|
