|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
|
|
chemicalCompound:standardIn... |
RLBIQVVOMOPOHC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C8 H10 N O5 P S
|
|
chemicalCompound:moleculeId |
264584
|
|
chemicalCompound:mwFreebase |
263.207
|
|
chemicalCompound:alogp |
2.205
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
115.41
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.821
|
|
chemicalCompound:acdLogD |
2.821
|
|
chemicalCompound:fullMwt |
263.207
|
|
chemicalCompound:chemblId |
CHEMBL346516
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:544695,
activity:3649751,
activity:3659177,
activity:3764129,
activity:3772587,
activity:3802193,
activity:3867717,
activity:4098454,
activity:4139588,
activity:4168200,
activity:4483321,
activity:4547093,
activity:4587332,
activity:4794566,
activity:4839250,
activity:4858459,
activity:4862751,
activity:4865526,
activity:4989800,
activity:5016813,
activity:5055028,
activity:6436914,
activity:6562389,
activity:6750461,
activity:7050647,
activity:7551100
|
