|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
|
|
chemicalCompound:standardIn... |
WDZVGELJXXEGPV-YIXHJXPBSA-N
|
|
chemicalCompound:canonicalS... |
NC(=N\N=C\c1c(Cl)cccc1Cl)N
|
|
chemicalCompound:molecularF... |
C8H8Cl2N4
|
|
chemicalCompound:moleculeId |
1202
|
|
chemicalCompound:mwFreebase |
231.082
|
|
chemicalCompound:alogp |
2.192
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
76.75
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.632
|
|
chemicalCompound:acdLogD |
1.192
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
231.082
|
|
chemicalCompound:acdMostBpk... |
7.656
|
|
chemicalCompound:chemblId |
CHEMBL420
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
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 |
GUANABENZ
|
|
chemicalCompound:firstAppro... |
1982
|
|
chemicalCompound:activity |
activity:150665,
activity:150666,
activity:150667,
activity:197241,
activity:237797,
activity:237798,
activity:383159,
activity:383160,
activity:383161,
activity:780556,
activity:780557,
activity:780558,
activity:780559,
activity:780560,
activity:780561,
activity:780562,
activity:781147,
activity:781148,
activity:1504430,
activity:1801067,
activity:1801129,
activity:1801162,
activity:1801168,
activity:2564056,
activity:2564074,
activity:2564075,
activity:2564093,
activity:2947120,
activity:2947121,
activity:3069214,
activity:3264691,
activity:3804623,
activity:3891435,
activity:4522065,
activity:5170309,
activity:5323730,
activity:5323731,
activity:5323732,
activity:5323733,
activity:5323734,
activity:5323735,
activity:5323736,
activity:5323737,
activity:5323738,
activity:5323739,
activity:5323740,
activity:5323741,
activity:5323742,
activity:5323743,
activity:5323744,
activity:5323745,
activity:5323746,
activity:5323747,
activity:5507824,
activity:5570164,
activity:6174350,
activity:6455396,
activity:7165392,
activity:7363177,
activity:7453650
|
