|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14N2O3/c1-11-2-4-12(5-3-11)16-19-15(17(21)22-16)10-18-13-6-8-14(20)9-7-13/h2-10,20-21H,1H3/b18-10+
|
|
chemicalCompound:standardIn... |
ORCVKYMYEWELEN-VCHYOVAHSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc(cc1)c2oc(O)c(\C=N\c3ccc(O)cc3)n2
|
|
chemicalCompound:molecularF... |
C17H14N2O3
|
|
chemicalCompound:moleculeId |
1325177
|
|
chemicalCompound:mwFreebase |
294.305
|
|
chemicalCompound:alogp |
3.804
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
78.85
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
2.73
|
|
chemicalCompound:acdLogP |
4.114
|
|
chemicalCompound:acdLogD |
1.384
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
294.305
|
|
chemicalCompound:chemblId |
CHEMBL2003886
|
|
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:activity |
activity:3606054,
activity:3659326,
activity:3763189,
activity:3781309,
activity:3970494,
activity:4049613,
activity:4291027,
activity:4356733,
activity:4593178,
activity:4922416,
activity:4977094,
activity:5021777,
activity:5025970,
activity:5419199,
activity:5509132,
activity:5643432,
activity:6465597,
activity:6755594,
activity:6856745,
activity:7070078,
activity:7253211,
activity:7311886,
activity:7429037,
activity:7485716,
activity:9825429,
activity:10621024
|
