|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
|
|
chemicalCompound:standardIn... |
TUVCWJQQGGETHL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
|
|
chemicalCompound:molecularF... |
C19H16N4O3
|
|
chemicalCompound:moleculeId |
568342
|
|
chemicalCompound:mwFreebase |
348.355
|
|
chemicalCompound:alogp |
2.798
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
84.51
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.057
|
|
chemicalCompound:acdLogP |
3.039
|
|
chemicalCompound:acdLogD |
3.018
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
348.355
|
|
chemicalCompound:acdMostBpk... |
2.972
|
|
chemicalCompound:chemblId |
CHEMBL573339
|
|
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:2137266,
activity:2137267,
activity:2890829,
activity:2890867,
activity:2890905,
activity:2890943,
activity:2890981,
activity:2891019,
activity:2891057,
activity:2891095,
activity:2891133,
activity:2891171,
activity:2891209,
activity:2891268,
activity:2891306,
activity:2891344,
activity:2891381,
activity:2891419,
activity:2891457,
activity:2891495,
activity:2891533,
activity:2891571,
activity:2891609,
activity:2891647,
activity:2891694,
activity:2891765,
activity:2891847,
activity:2891918,
activity:2891985,
activity:2892029,
activity:2892067,
activity:2892105,
activity:2892143,
activity:2892181,
activity:2892219,
activity:2892257,
activity:2892295,
activity:2892333,
activity:2892371,
activity:2892409,
activity:2892472,
activity:2892487,
activity:2892525,
activity:2892563,
activity:2892601,
activity:2892639,
activity:2892677,
activity:2892715,
activity:2892753,
activity:2892791,
activity:2892829,
activity:2892903,
activity:2892974,
activity:2893049,
activity:2893116,
activity:2893187,
activity:2893225,
activity:2893263,
activity:2893301,
activity:2893339,
activity:2893377,
activity:2893415,
activity:2893453,
activity:2893491,
activity:2893529
|
