rdf:type |
|
chemicalCompound:parent |
|
chemicalCompound:standardIn... |
InChI=1S/C9H6N2S2.ClH/c1-3-12-6-7(1)8-5-11-2-4-13-9(11)10-8;/h1-6H;1H
|
chemicalCompound:standardIn... |
CSWCQZOJCZYBRF-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
Cl.c1cc(cs1)c2cn3ccsc3n2
|
chemicalCompound:molecularF... |
C9H7ClN2S2
|
chemicalCompound:moleculeId |
1138411
|
chemicalCompound:mwFreebase |
206.287
|
chemicalCompound:alogp |
1.91
|
chemicalCompound:hba |
1
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
73.78
|
chemicalCompound:rtb |
1
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
2.884
|
chemicalCompound:acdLogD |
2.831
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
242.748
|
chemicalCompound:acdMostBpk... |
6.508
|
chemicalCompound:chemblId |
CHEMBL1761131
|
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 |
|