|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H9N3O2S/c17-16(18)13-7-5-12(6-8-13)15-11-3-1-10(2-4-11)14-9-19/h1-8,15H
|
|
chemicalCompound:standardIn... |
DKVNAGXPRSYHLB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1ccc(Nc2ccc(cc2)N=C=S)cc1
|
|
chemicalCompound:molecularF... |
C13 H9 N3 O2 S
|
|
chemicalCompound:moleculeId |
150586
|
|
chemicalCompound:mwFreebase |
271.294
|
|
chemicalCompound:alogp |
4.033
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
102.3
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.585
|
|
chemicalCompound:acdLogD |
4.585
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
271.294
|
|
chemicalCompound:chemblId |
CHEMBL93385
|
|
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:prefName |
AMOSCANATE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
|
