|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H17NO2/c1-21-12-16-10-14-6-2-4-8-18(14)22-20(16)17(13-21)11-15-7-3-5-9-19(15)23-20/h2-11H,12-13H2,1H3
|
|
chemicalCompound:standardIn... |
AEYQPEUDXAQAFL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CC2=Cc3ccccc3OC24Oc5ccccc5C=C4C1
|
|
chemicalCompound:molecularF... |
C20H17NO2
|
|
chemicalCompound:moleculeId |
800255
|
|
chemicalCompound:mwFreebase |
303.354
|
|
chemicalCompound:alogp |
3.814
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
21.7
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.235
|
|
chemicalCompound:acdLogD |
4.081
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
303.354
|
|
chemicalCompound:acdMostBpk... |
7.031
|
|
chemicalCompound:chemblId |
CHEMBL1376371
|
|
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:3631685,
activity:3820299,
activity:3914797,
activity:3956334,
activity:3994848,
activity:4007829,
activity:4050741,
activity:4474127,
activity:4533475,
activity:4594194,
activity:4609424,
activity:4634244,
activity:4743207,
activity:4822195,
activity:4943392,
activity:5394532,
activity:5412906,
activity:5498199,
activity:5531591,
activity:5536857,
activity:5585043,
activity:5711605,
activity:5865111,
activity:6563090,
activity:6748677,
activity:6812174,
activity:7033499,
activity:7071355,
activity:7191756,
activity:7290593,
activity:7345020,
activity:7508802,
activity:7553352,
activity:7554868,
activity:9790971,
activity:10551756
|
