|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H16N2S2/c21-17-9-13-5-1-3-7-15(13)11-19(17)23-24-20-12-16-8-4-2-6-14(16)10-18(20)22/h1-12H,21-22H2
|
|
chemicalCompound:standardIn... |
DDELBCMJEYQSJM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1cc2ccccc2cc1SSc3cc4ccccc4cc3N
|
|
chemicalCompound:molecularF... |
C20 H16 N2 S2
|
|
chemicalCompound:moleculeId |
199218
|
|
chemicalCompound:mwFreebase |
348.484
|
|
chemicalCompound:alogp |
4.862
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
102.64
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.418
|
|
chemicalCompound:acdLogD |
5.418
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
348.484
|
|
chemicalCompound:acdMostBpk... |
3.238
|
|
chemicalCompound:chemblId |
CHEMBL332569
|
|
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 |
|
