|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
CXKWCBBOMKCUKX-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Cl-].CN(C)c1ccc2N=C3C=CC(=[N+](C)C)C=C3Sc2c1
|
|
chemicalCompound:molecularF... |
C16H18ClN3S
|
|
chemicalCompound:moleculeId |
431806
|
|
chemicalCompound:mwFreebase |
284.399
|
|
chemicalCompound:alogp |
4.227
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
30.67
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
319.852
|
|
chemicalCompound:acdMostBpk... |
4.177
|
|
chemicalCompound:chemblId |
CHEMBL405110
|
|
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 |
METHYLTHIONINIUM CHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:240244,
activity:240245,
activity:240246,
activity:1486690,
activity:1486691,
activity:2108655,
activity:2140531,
activity:2140532,
activity:2140544,
activity:2140545,
activity:2140546,
activity:2140547,
activity:2456584,
activity:2622526,
activity:2678386,
activity:2678390,
activity:2678391,
activity:2678392,
activity:2678393,
activity:2678394,
activity:2678395,
activity:2678396,
activity:2678397,
activity:2678398,
activity:2678399,
activity:2678400,
activity:2678401,
activity:2678402,
activity:2678403,
activity:2678404,
activity:2678405,
activity:2678406,
activity:2678407,
activity:2678408,
activity:2678409,
activity:2678410,
activity:2678411,
activity:2678412,
activity:2678413,
activity:2678414,
activity:2678415,
activity:2678416,
activity:2678417,
activity:2678418,
activity:2678419,
activity:2678420,
activity:2678421,
activity:2678422,
activity:2678423,
activity:2678424,
activity:2678425,
activity:2678426,
activity:2678427,
activity:2678428,
activity:2678429,
activity:3254858,
activity:3254942,
activity:3307599,
activity:3307606,
activity:3307607,
activity:3307627,
activity:3307633,
activity:3307663
|
