|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
|
|
chemicalCompound:standardIn... |
RJMUSRYZPJIFPJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C13H8Cl2N2O4
|
|
chemicalCompound:moleculeId |
378218
|
|
chemicalCompound:mwFreebase |
327.12
|
|
chemicalCompound:alogp |
3.595
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
95.15
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
7.45
|
|
chemicalCompound:acdLogP |
3.768
|
|
chemicalCompound:acdLogD |
3.531
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
327.12
|
|
chemicalCompound:chemblId |
CHEMBL1448
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
NICLOSAMIDE
|
|
chemicalCompound:firstAppro... |
1982
|
|
chemicalCompound:activity |
activity:1490345,
activity:1866390,
activity:1866419,
activity:1866448,
activity:1866477,
activity:1915943,
activity:1915975,
activity:1915995,
activity:1916016,
activity:1916126,
activity:1916143,
activity:1916187,
activity:1916212,
activity:1916272,
activity:2331206,
activity:2671094,
activity:2671095,
activity:2671096,
activity:2714709,
activity:3069899,
activity:3069906,
activity:3069910,
activity:3070916,
activity:3070920,
activity:3070924,
activity:3070928,
activity:3070932,
activity:3070936,
activity:3070940,
activity:3070944,
activity:3070948,
activity:3070951,
activity:3070952,
activity:3277792,
activity:3277797,
activity:3277800,
activity:3418701,
activity:3418702,
activity:3418703,
activity:3418704,
activity:3418705,
activity:3418712,
activity:3418713,
activity:3418797,
activity:3472941,
activity:3480646,
activity:3480647,
activity:3480648,
activity:3480649,
activity:3480650,
activity:3480651,
activity:3480652,
activity:3482642,
activity:3483426,
activity:3483507
|
