rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C16H9N5OS2/c23-16-21(10-5-2-1-3-6-10)14-12(24-16)15-18-13(11-7-4-8-22-11)19-20(15)9-17-14/h1-9H
|
chemicalCompound:standardIn... |
DTOKGNWGWMEHFP-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
S=C1Sc2c(ncn3nc(nc23)c4occc4)N1c5ccccc5
|
chemicalCompound:molecularF... |
C16H9N5OS2
|
chemicalCompound:moleculeId |
623028
|
chemicalCompound:mwFreebase |
351.406
|
chemicalCompound:alogp |
4.939
|
chemicalCompound:hba |
5
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
116.85
|
chemicalCompound:rtb |
2
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
N
|
chemicalCompound:acdLogP |
4.04
|
chemicalCompound:acdLogD |
4.04
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
351.406
|
chemicalCompound:chemblId |
CHEMBL1090575
|
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 |
|