|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11+
|
|
chemicalCompound:standardIn... |
UAKWLVYMKBWHMX-RVDMUPIBSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1ccc(\C=C/2\C(=O)Nc3ccccc23)cc1
|
|
chemicalCompound:molecularF... |
C17 H16 N2 O
|
|
chemicalCompound:moleculeId |
71807
|
|
chemicalCompound:mwFreebase |
264.322
|
|
chemicalCompound:alogp |
2.893
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
32.34
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.147
|
|
chemicalCompound:acdLogP |
3.488
|
|
chemicalCompound:acdLogD |
3.488
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
264.322
|
|
chemicalCompound:acdMostBpk... |
4.214
|
|
chemicalCompound:chemblId |
CHEMBL296455
|
|
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:399085,
activity:1253017,
activity:1253018,
activity:1253019,
activity:1253020,
activity:1253021,
activity:1468161,
activity:1468162,
activity:1507300,
activity:1507301,
activity:2160235,
activity:2160249,
activity:2160264,
activity:2160275,
activity:2160285,
activity:2160300,
activity:2160322,
activity:3490873,
activity:3618767,
activity:3673495,
activity:3692450,
activity:3701078,
activity:3777967,
activity:3779118,
activity:3919182,
activity:3920059,
activity:3935927,
activity:3946711,
activity:3955987,
activity:4014267,
activity:4031427,
activity:4143140,
activity:4383708,
activity:4388183,
activity:4513788,
activity:4524854,
activity:4558582,
activity:4583846,
activity:4596758,
activity:4617801,
activity:4618376,
activity:4655499,
activity:4655534,
activity:4803428,
activity:4805454,
activity:4809323,
activity:4828095,
activity:4837922,
activity:4853844,
activity:4870571,
activity:4905476,
activity:4973870,
activity:4997739,
activity:5062749,
activity:5065382,
activity:5065401,
activity:5070334,
activity:5977347,
activity:5992573,
activity:6009370,
activity:6045066,
activity:6055488,
activity:6072028,
activity:6325719,
activity:6325721
|
