|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
|
|
chemicalCompound:standardIn... |
OUPZKGBUJRBPGC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4
|
|
chemicalCompound:molecularF... |
C12H15N3O6
|
|
chemicalCompound:moleculeId |
453120
|
|
chemicalCompound:mwFreebase |
297.264
|
|
chemicalCompound:alogp |
-0.894
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
98.52
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
-1.428
|
|
chemicalCompound:acdLogD |
-1.428
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
297.264
|
|
chemicalCompound:chemblId |
CHEMBL453863
|
|
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 |
TEROXIRONE
|
|
chemicalCompound:activity |
activity:2591866,
activity:2591984,
activity:3607826,
activity:3658069,
activity:3698467,
activity:3768721,
activity:3773595,
activity:3774831,
activity:3777926,
activity:3778934,
activity:3882440,
activity:3894621,
activity:3902884,
activity:3904804,
activity:3919744,
activity:3950115,
activity:3951373,
activity:4106416,
activity:4291492,
activity:4371323,
activity:4587252,
activity:4674483,
activity:4717886,
activity:4723528,
activity:4749384,
activity:4783688,
activity:4865158,
activity:4866259,
activity:4872696,
activity:4872909,
activity:4881014,
activity:4896445,
activity:4901631,
activity:4902109,
activity:4976535,
activity:4984469,
activity:5019630,
activity:5022740,
activity:5069034,
activity:5078274,
activity:5406174,
activity:5454773,
activity:6445203,
activity:6448756,
activity:6468130,
activity:6512628,
activity:6558699,
activity:6735657,
activity:6750582,
activity:7011270,
activity:7015010,
activity:7022416,
activity:7026093,
activity:7046967,
activity:7048540,
activity:7050670,
activity:7059149,
activity:7062818,
activity:7129168,
activity:7224208,
activity:7224331,
activity:7327547,
activity:7442722,
activity:7442810,
activity:7457979,
activity:7475532,
activity:7520714
|
