|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H11NO2/c1-8-3-5-10-12(7-8)14(17)11-6-4-9(2)16-13(11)15(10)18/h3-7H,1-2H3
|
|
chemicalCompound:standardIn... |
ZEAIDLOIWYDULE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc2C(=O)c3nc(C)ccc3C(=O)c2c1
|
|
chemicalCompound:molecularF... |
C15H11NO2
|
|
chemicalCompound:moleculeId |
1310437
|
|
chemicalCompound:mwFreebase |
237.253
|
|
chemicalCompound:alogp |
2.855
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
47.03
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.154
|
|
chemicalCompound:acdLogD |
3.154
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
237.253
|
|
chemicalCompound:acdMostBpk... |
0.416
|
|
chemicalCompound:chemblId |
CHEMBL1989146
|
|
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:8256850,
activity:8262969,
activity:8312639,
activity:8327816,
activity:8413521,
activity:8448870,
activity:8486748,
activity:8517742,
activity:8533271,
activity:8609869,
activity:8670483,
activity:8690753,
activity:8781489,
activity:8788300,
activity:8818309,
activity:8861561,
activity:8870125,
activity:8916803,
activity:8980210,
activity:9013334,
activity:9079553,
activity:9108139,
activity:9110438,
activity:9201711,
activity:9230475,
activity:9245494,
activity:9299021,
activity:9319844,
activity:9379754,
activity:9452292,
activity:9463364,
activity:9526048,
activity:9632832,
activity:9714627,
activity:9725146,
activity:9804620,
activity:9876134,
activity:9905108,
activity:9938806,
activity:9976643,
activity:9978850,
activity:10037640,
activity:10093810,
activity:10161698,
activity:10197021,
activity:10226144,
activity:10269792,
activity:10281065,
activity:10381581,
activity:10406566,
activity:10455205,
activity:10507135,
activity:10603962,
activity:10615505,
activity:10630354,
activity:10713444,
activity:10733517,
activity:10806220
|
