|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H14O3/c1-21-14-8-6-12(7-9-14)10-13-11-17(19)15-4-2-3-5-16(15)18(13)20/h2-9,11H,10H2,1H3
|
|
chemicalCompound:standardIn... |
HZDGZAXBWMQSSX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(CC2=CC(=O)c3ccccc3C2=O)cc1
|
|
chemicalCompound:molecularF... |
C18H14O3
|
|
chemicalCompound:moleculeId |
959822
|
|
chemicalCompound:mwFreebase |
278.302
|
|
chemicalCompound:alogp |
3.676
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.37
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.074
|
|
chemicalCompound:acdLogD |
3.074
|
|
chemicalCompound:fullMwt |
278.302
|
|
chemicalCompound:chemblId |
CHEMBL1535938
|
|
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:3631204,
activity:3770904,
activity:3844680,
activity:4115858,
activity:4273467,
activity:4315250,
activity:4364650,
activity:4377025,
activity:4451474,
activity:4494424,
activity:4569215,
activity:4598422,
activity:4613867,
activity:4895957,
activity:4897602,
activity:4958000,
activity:4987642,
activity:5346884,
activity:5504741,
activity:5535256,
activity:5543765,
activity:5585970,
activity:5792826,
activity:5874603,
activity:6447761,
activity:6509245,
activity:6596123,
activity:6602925,
activity:6765517,
activity:6879610,
activity:6958168,
activity:6974331,
activity:6994278,
activity:7043780,
activity:7050201,
activity:7114564,
activity:7206341,
activity:7281814,
activity:7397813,
activity:9791586,
activity:9987526,
activity:10263268,
activity:10430925,
activity:10433678,
activity:10551845
|
