|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H14NO2S.ClH/c1-14(2)8-4-3-7-11-9(12)5-6-10(11)13;/h5-8H2,1-2H3;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
SNONJJUMCAPGAJ-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Cl-].C[S+](C)CC#CCN1C(=O)CCC1=O
|
|
chemicalCompound:molecularF... |
C10H14ClNO2S
|
|
chemicalCompound:moleculeId |
553810
|
|
chemicalCompound:mwFreebase |
212.289
|
|
chemicalCompound:alogp |
0.72
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
40.08
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
247.742
|
|
chemicalCompound:chemblId |
CHEMBL541927
|
|
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 |
activity:941368,
activity:941369,
activity:941370,
activity:941371,
activity:941372,
activity:941373,
activity:941374,
activity:941375,
activity:941376,
activity:941377,
activity:941378,
activity:941379,
activity:941380,
activity:941381,
activity:941382,
activity:941383
|
