|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H11NO2/c17-11-6-7-12-14(8-11)16-13(9-15(12)18)10-4-2-1-3-5-10/h1-9,17H,(H,16,18)
|
|
chemicalCompound:standardIn... |
AHVIMHDOWFUQIV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2c(O)cc(nc2c1)c3ccccc3
|
|
chemicalCompound:molecularF... |
C15 H11 N O2
|
|
chemicalCompound:moleculeId |
16256
|
|
chemicalCompound:mwFreebase |
237.253
|
|
chemicalCompound:alogp |
3.479
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
53.35
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.032
|
|
chemicalCompound:acdLogP |
3.42
|
|
chemicalCompound:acdLogD |
0.512
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
237.253
|
|
chemicalCompound:acdMostBpk... |
13.474
|
|
chemicalCompound:chemblId |
CHEMBL15634
|
|
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:709450,
activity:709451,
activity:709452,
activity:709453,
activity:709454,
activity:709455,
activity:709456,
activity:7985000,
activity:7985006,
activity:7985013,
activity:7985023,
activity:7985033,
activity:7985052,
activity:7985062,
activity:7985072,
activity:7985082,
activity:7985092,
activity:7985102,
activity:7985104,
activity:8291540,
activity:8334434,
activity:8371282,
activity:8408411,
activity:8466006,
activity:8503907,
activity:8521703,
activity:8595914,
activity:8598366,
activity:8694698,
activity:8789813,
activity:8813305,
activity:8815693,
activity:8936697,
activity:8979539,
activity:8999674,
activity:9024293,
activity:9074952,
activity:9118856,
activity:9196683,
activity:9221750,
activity:9222860,
activity:9234216,
activity:9318670,
activity:9329222,
activity:9354601,
activity:9383596,
activity:9395029,
activity:9462992,
activity:9529602,
activity:9697724,
activity:9758025,
activity:9760001,
activity:9802275,
activity:9829105,
activity:9900089,
activity:9933938,
activity:9967438,
activity:9995838,
activity:10071700,
activity:10096467,
activity:10174539,
activity:10192087,
activity:10216799,
activity:10301997,
activity:10335562,
activity:10376496
|
