|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H16N4OS/c1-20(2)12-6-4-11(5-7-12)18-19-16-17-14-9-8-13(21-3)10-15(14)22-16/h4-10H,1-3H3/b19-18+
|
|
chemicalCompound:standardIn... |
AVPFTROGVGTTEC-VHEBQXMUSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2nc(N=Nc3ccc(cc3)N(C)C)sc2c1
|
|
chemicalCompound:molecularF... |
C16H16N4OS
|
|
chemicalCompound:moleculeId |
1169980
|
|
chemicalCompound:mwFreebase |
312.389
|
|
chemicalCompound:alogp |
4.97
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
78.31
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.251
|
|
chemicalCompound:acdLogD |
4.251
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
312.389
|
|
chemicalCompound:acdMostBpk... |
3.261
|
|
chemicalCompound:chemblId |
CHEMBL1817789
|
|
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 |
|
