|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H10N6OS/c25-15-9-14(20-10-11-5-7-19-8-6-11)23-18-24(15)16-17(26-18)22-13-4-2-1-3-12(13)21-16/h1-10H/b20-10+
|
|
chemicalCompound:standardIn... |
MWIRYVSNNNLVGR-KEBDBYFISA-N
|
|
chemicalCompound:canonicalS... |
O=C1C=C(\N=C\c2ccncc2)N=C3Sc4nc5ccccc5nc4N13
|
|
chemicalCompound:molecularF... |
C18H10N6OS
|
|
chemicalCompound:moleculeId |
629151
|
|
chemicalCompound:mwFreebase |
358.377
|
|
chemicalCompound:alogp |
3.653
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
109
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.236
|
|
chemicalCompound:acdLogD |
3.236
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
358.377
|
|
chemicalCompound:acdMostBpk... |
3.923
|
|
chemicalCompound:chemblId |
CHEMBL1087061
|
|
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 |
|
