rdf:type |
|
chemicalCompound:synonym |
|
chemicalCompound:standardIn... |
InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
|
chemicalCompound:standardIn... |
KLBQZWRITKRQQV-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1
|
chemicalCompound:molecularF... |
C21H26N2S2
|
chemicalCompound:moleculeId |
5970
|
chemicalCompound:mwFreebase |
370.575
|
chemicalCompound:alogp |
5.563
|
chemicalCompound:hba |
4
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
57.08
|
chemicalCompound:rtb |
4
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
1
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
5.9
|
chemicalCompound:acdLogD |
3.495
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
370.575
|
chemicalCompound:acdMostBpk... |
9.844
|
chemicalCompound:chemblId |
CHEMBL479
|
chemicalCompound:maxPhase |
4
|
chemicalCompound:therapeuti... |
1
|
chemicalCompound:dosedIngre... |
Yes
|
chemicalCompound:structureT... |
|
chemicalCompound:chebi |
|
chemicalCompound:moleculeTy... |
|
chemicalCompound:oral |
Yes
|
chemicalCompound:parenteral |
No
|
chemicalCompound:topical |
No
|
chemicalCompound:blackBoxWa... |
Yes
|
chemicalCompound:naturalPro... |
No
|
chemicalCompound:proDrug |
No
|
chemicalCompound:prefName |
THIORIDAZINE
|
chemicalCompound:chebiParen... |
|
chemicalCompound:activity |
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activity:564095,
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