|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H14N4/c1-3-7-13(8-4-1)18-15-11-12-17-16(20-15)19-14-9-5-2-6-10-14/h1-12H,(H2,17,18,19,20)
|
|
chemicalCompound:standardIn... |
GKFFFOLFBJUEFN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
N(c1ccccc1)c2ccnc(Nc3ccccc3)n2
|
|
chemicalCompound:molecularF... |
C16H14N4
|
|
chemicalCompound:moleculeId |
587422
|
|
chemicalCompound:mwFreebase |
262.309
|
|
chemicalCompound:alogp |
4.211
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
49.84
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.764
|
|
chemicalCompound:acdLogD |
3.747
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
262.309
|
|
chemicalCompound:acdMostBpk... |
5.987
|
|
chemicalCompound:chemblId |
CHEMBL578061
|
|
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:3024039,
activity:3031732,
activity:3033747,
activity:3034691,
activity:3814427,
activity:3858004,
activity:3970204,
activity:4097501,
activity:4371978,
activity:4388928,
activity:4425404,
activity:4517050,
activity:4690528,
activity:4724567,
activity:4737579,
activity:4867240,
activity:4931005,
activity:4992848,
activity:5011732,
activity:5020151,
activity:5342724,
activity:5458336,
activity:5545014,
activity:5665860,
activity:5859894,
activity:5925757,
activity:6234011,
activity:6234181,
activity:6234814,
activity:6795718,
activity:7217481,
activity:7428328,
activity:7444906,
activity:9515531,
activity:9516254,
activity:9532524,
activity:9532743,
activity:9544722,
activity:9557612,
activity:9557756,
activity:9565654,
activity:9568724,
activity:9572095,
activity:9574722,
activity:9575094,
activity:9578311,
activity:9582648,
activity:9583052,
activity:9586581,
activity:9594094,
activity:9597609,
activity:9602312,
activity:9607542,
activity:9608515,
activity:9614230,
activity:9616379,
activity:9618942,
activity:9629812,
activity:9631835,
activity:9644915,
activity:9648368,
activity:9669138,
activity:9673668,
activity:9682458,
activity:9682709,
activity:9694986
|
