|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H21NO3/c1-23(22(24)18-7-5-9-21(15-18)26-3)19-8-4-6-17(14-19)16-10-12-20(25-2)13-11-16/h4-15H,1-3H3
|
|
chemicalCompound:standardIn... |
SSIWRHARPOYVFK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)c2cccc(c2)N(C)C(=O)c3cccc(OC)c3
|
|
chemicalCompound:molecularF... |
C22H21NO3
|
|
chemicalCompound:moleculeId |
1058820
|
|
chemicalCompound:mwFreebase |
347.407
|
|
chemicalCompound:alogp |
4.306
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
38.76
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.902
|
|
chemicalCompound:acdLogD |
4.902
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
347.407
|
|
chemicalCompound:chemblId |
CHEMBL1644061
|
|
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 |
|
