|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H16NOS.ClH/c1-13(2)9-4-3-7-11-8-5-6-10(11)12;/h5-9H2,1-2H3;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
ZVQFEBJNLHSIEM-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Cl-].C[S+](C)CC#CCN1CCCC1=O
|
|
chemicalCompound:molecularF... |
C10H16ClNOS
|
|
chemicalCompound:moleculeId |
553775
|
|
chemicalCompound:mwFreebase |
198.305
|
|
chemicalCompound:alogp |
1.141
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
23.01
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
233.758
|
|
chemicalCompound:chemblId |
CHEMBL540395
|
|
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:936080,
activity:936081,
activity:936082,
activity:936083,
activity:936084,
activity:936085,
activity:936086,
activity:936087,
activity:936088,
activity:936089,
activity:936090,
activity:936091,
activity:936092,
activity:936093,
activity:936094,
activity:936095,
activity:936096
|
