|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6HCl3NS2.ClH/c7-2-1-3(8)5-6(4(2)9)11-12-10-5;/h1H;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
GKEBSOJNJNZASR-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Cl-].Clc1cc(Cl)c2ns[s+]c2c1Cl
|
|
chemicalCompound:molecularF... |
C6HCl4NS2
|
|
chemicalCompound:moleculeId |
1288756
|
|
chemicalCompound:mwFreebase |
257.568
|
|
chemicalCompound:alogp |
4.749
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
52.43
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:fullMwt |
293.021
|
|
chemicalCompound:chemblId |
CHEMBL1967465
|
|
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:8285333,
activity:8335226,
activity:8350386,
activity:8369334,
activity:8471099,
activity:8540385,
activity:8555847,
activity:8632412,
activity:8692689,
activity:8712770,
activity:8732704,
activity:8739567,
activity:8841058,
activity:8892707,
activity:8939365,
activity:9006598,
activity:9035996,
activity:9056163,
activity:9126005,
activity:9132678,
activity:9181931,
activity:9224361,
activity:9256822,
activity:9267568,
activity:9325505,
activity:9345390,
activity:9399285,
activity:9474235,
activity:9485252,
activity:9658058,
activity:9660517,
activity:9736695,
activity:9751630,
activity:9826094,
activity:9856923,
activity:9928442,
activity:9961037,
activity:10114262,
activity:10115640,
activity:10137156,
activity:10219206,
activity:10252496,
activity:10291768,
activity:10337925,
activity:10408556,
activity:10465438,
activity:10519342,
activity:10529302,
activity:10561279,
activity:10580839,
activity:10637365,
activity:10651978,
activity:10698346,
activity:10739855,
activity:10762687,
activity:10822695
|
