|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H13NO3/c19-17(21-11-13-7-3-1-4-8-13)15-12-20-16(18-15)14-9-5-2-6-10-14/h1-10,12H,11H2
|
|
chemicalCompound:standardIn... |
IYUMOOMTWILBIL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C(OCc1ccccc1)c2coc(n2)c3ccccc3
|
|
chemicalCompound:molecularF... |
C17H13NO3
|
|
chemicalCompound:moleculeId |
630136
|
|
chemicalCompound:mwFreebase |
279.29
|
|
chemicalCompound:alogp |
3.519
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
52.33
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.1
|
|
chemicalCompound:acdLogD |
5.1
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
279.29
|
|
chemicalCompound:chemblId |
CHEMBL1087356
|
|
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:activity |
activity:3273018,
activity:3273027,
activity:3273090,
activity:3273561,
activity:3273612,
activity:3273637,
activity:3273661,
activity:3273669,
activity:3273677,
activity:3273730,
activity:3273808,
activity:3273816,
activity:3274140,
activity:3274146,
activity:3274153,
activity:3274160,
activity:3274167,
activity:3274174,
activity:3274181,
activity:3274188,
activity:3274195,
activity:3274202,
activity:3274209,
activity:3274216,
activity:3274223,
activity:3274230,
activity:3274237,
activity:3274244,
activity:3274253,
activity:3274260
|
