|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H8IN5OS2/c17-9-4-1-2-5-10(9)22-14-12(25-16(22)24)15-19-13(11-6-3-7-23-11)20-21(15)8-18-14/h1-8H
|
|
chemicalCompound:standardIn... |
AQCYYAZSOFCFLZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Ic1ccccc1N2C(=S)Sc3c2ncn4nc(nc34)c5occc5
|
|
chemicalCompound:molecularF... |
C16H8IN5OS2
|
|
chemicalCompound:moleculeId |
623096
|
|
chemicalCompound:mwFreebase |
477.302
|
|
chemicalCompound:alogp |
5.517
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
116.85
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
5.175
|
|
chemicalCompound:acdLogD |
5.175
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
477.302
|
|
chemicalCompound:chemblId |
CHEMBL1093018
|
|
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 |
|
