|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H8I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/q+1
|
|
chemicalCompound:standardIn... |
QFXKXRXFBRLLPQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[I+]1c2ccccc2c3ccccc13
|
|
chemicalCompound:molecularF... |
C12H8I
|
|
chemicalCompound:moleculeId |
322987
|
|
chemicalCompound:mwFreebase |
279.096
|
|
chemicalCompound:alogp |
3.775
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
38.49
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:fullMwt |
279.096
|
|
chemicalCompound:chemblId |
CHEMBL365739
|
|
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:prefName |
DIPHENYLENEIODONIUM
|
|
chemicalCompound:activity |
activity:1518535,
activity:1813908,
activity:1813909,
activity:1828060,
activity:2019010,
activity:2066469,
activity:2066472,
activity:2066481,
activity:2151460,
activity:2152528,
activity:2369677,
activity:2400695,
activity:2400717,
activity:2646395,
activity:2664715,
activity:2670191,
activity:2688542,
activity:3110455,
activity:3346994,
activity:3347011,
activity:3491030,
activity:3491031,
activity:3491032,
activity:3605009,
activity:3618528,
activity:3807781,
activity:3857895,
activity:3883865,
activity:3914371,
activity:3919379,
activity:3939526,
activity:4016538,
activity:4019425,
activity:4090364,
activity:4172926,
activity:4179178,
activity:4393069,
activity:4522702,
activity:4543012,
activity:4596132,
activity:4634262,
activity:4635191,
activity:4691220,
activity:4711939,
activity:4724476,
activity:4787551,
activity:4811449,
activity:4813409,
activity:4822981,
activity:4838276,
activity:4842569,
activity:4898058,
activity:4949700,
activity:4949917,
activity:4973772,
activity:4994210,
activity:5017127,
activity:5018621,
activity:5033173,
activity:5041597,
activity:5042798,
activity:5074362,
activity:5122553,
activity:5122554,
activity:5124833,
activity:5124850,
activity:5124867,
activity:5173866,
activity:5173890
|
