chemicalCompound:standardIn... |
InChI=1S/C20H21N2S/c1-21(2)17-14-12-16(13-15-17)8-4-7-11-20-22(3)18-9-5-6-10-19(18)23-20/h4-15H,1-3H3/q+1
|
chemicalCompound:standardIn... |
GMEBKRPJRUGDMP-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
CN(C)c1ccc(\C=C\C=C\c2sc3ccccc3[n+]2C)cc1
|
chemicalCompound:molecularF... |
C20H21N2S
|
chemicalCompound:moleculeId |
1046071
|
chemicalCompound:mwFreebase |
321.459
|
chemicalCompound:alogp |
5.373
|
chemicalCompound:hba |
1
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
35.36
|
chemicalCompound:rtb |
4
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
1
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
2.474
|
chemicalCompound:acdLogD |
2.474
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
321.459
|
chemicalCompound:acdMostBpk... |
4.552
|
chemicalCompound:chemblId |
CHEMBL1623120
|
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
|