|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
|
|
chemicalCompound:standardIn... |
ACPOUJIDANTYHO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1c2ccccc2c3n[nH]c4cccc1c34
|
|
chemicalCompound:molecularF... |
C14H8N2O
|
|
chemicalCompound:moleculeId |
331500
|
|
chemicalCompound:mwFreebase |
220.226
|
|
chemicalCompound:alogp |
2.994
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
45.75
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.754
|
|
chemicalCompound:acdLogP |
3.082
|
|
chemicalCompound:acdLogD |
3.082
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
220.226
|
|
chemicalCompound:chemblId |
CHEMBL7064
|
|
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:1651076,
activity:1651087,
activity:1651098,
activity:1651109,
activity:1651120,
activity:1651131,
activity:1651142,
activity:1651153,
activity:1651164,
activity:1651175,
activity:1651186,
activity:1651197,
activity:1651208,
activity:1651219,
activity:1651230,
activity:1651241,
activity:1651252,
activity:1651263,
activity:1651274,
activity:1651285,
activity:1651296,
activity:1651307,
activity:1651318,
activity:1651329,
activity:1651340,
activity:1651351,
activity:1651362,
activity:1651373,
activity:1651384,
activity:1651395,
activity:1651406,
activity:1651417,
activity:1651428,
activity:1651439,
activity:1651450,
activity:1651461,
activity:1651472,
activity:1651483,
activity:1651494,
activity:1651505,
activity:1651516,
activity:1651527,
activity:1651538,
activity:1651549,
activity:1651560,
activity:1651571,
activity:1651582,
activity:1651593,
activity:1651604,
activity:1651615,
activity:1651626,
activity:1651637,
activity:1651648,
activity:1651659,
activity:1651670,
activity:1651681,
activity:1651692,
activity:1651703,
activity:1651714,
activity:1651725,
activity:1651736,
activity:1651747,
activity:1651758,
activity:1651769,
activity:1651780,
activity:1651791
|
