|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)/t5-/m0/s1
|
|
chemicalCompound:standardIn... |
GSLQFBVNOFBPRJ-YFKPBYRVSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ncnc2c1ncn2C[C@H](O)CO
|
|
chemicalCompound:molecularF... |
C8H11N5O2
|
|
chemicalCompound:moleculeId |
485737
|
|
chemicalCompound:mwFreebase |
209.205
|
|
chemicalCompound:alogp |
-1.286
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
110.08
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.607
|
|
chemicalCompound:acdLogP |
-0.868
|
|
chemicalCompound:acdLogD |
-0.868
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
209.205
|
|
chemicalCompound:acdMostBpk... |
4.203
|
|
chemicalCompound:chemblId |
CHEMBL494759
|
|
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 |
(S)-DHPA
|
|
chemicalCompound:activity |
activity:182253,
activity:182254,
activity:182255,
activity:182256,
activity:182257,
activity:182258,
activity:182259,
activity:182260,
activity:182261,
activity:182262,
activity:182263,
activity:185336,
activity:185337,
activity:185338,
activity:185339,
activity:185340,
activity:185341,
activity:185342,
activity:185343,
activity:185344,
activity:185345,
activity:185346,
activity:185347,
activity:185348,
activity:185349,
activity:185350,
activity:185351,
activity:185352,
activity:185353,
activity:185354,
activity:185355,
activity:185356,
activity:185357,
activity:185358,
activity:185359,
activity:185360,
activity:193977,
activity:193978,
activity:193979,
activity:193980,
activity:193981,
activity:193982,
activity:193983,
activity:193984,
activity:193985,
activity:193986,
activity:193987,
activity:193988,
activity:193989,
activity:193990,
activity:193991,
activity:193992,
activity:193993,
activity:193994,
activity:193995,
activity:193996,
activity:193997,
activity:193998,
activity:193999,
activity:194000,
activity:194001,
activity:327401,
activity:327402,
activity:327403,
activity:327404
|
