|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2
|
|
chemicalCompound:standardIn... |
MDJFHRLTPRPZLY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1cncn1CCN2CCOCC2
|
|
chemicalCompound:molecularF... |
C9 H14 N4 O3
|
|
chemicalCompound:moleculeId |
99368
|
|
chemicalCompound:mwFreebase |
226.232
|
|
chemicalCompound:alogp |
-0.232
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
76.11
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
-0.15
|
|
chemicalCompound:acdLogD |
-0.221
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
226.232
|
|
chemicalCompound:acdMostBpk... |
6.653
|
|
chemicalCompound:chemblId |
CHEMBL435966
|
|
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 |
NIMORAZOLE
|
|
chemicalCompound:activity |
activity:31953,
activity:31954,
activity:114137,
activity:114138,
activity:114139,
activity:114140,
activity:114141,
activity:114142,
activity:114143,
activity:934736,
activity:934737,
activity:934738,
activity:934739,
activity:934740,
activity:934741,
activity:934742,
activity:934743,
activity:934744,
activity:934745,
activity:934746,
activity:934747,
activity:6800586,
activity:6841801,
activity:6981286,
activity:7246045,
activity:7460668
|
