|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H22FNO2/c23-18-7-5-15(6-8-18)22(26)16-9-11-24(12-10-16)14-17-13-21(25)20-4-2-1-3-19(17)20/h1-8,16-17H,9-14H2
|
|
chemicalCompound:standardIn... |
GMDLSAWBJALPNC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)C(=O)C2CCN(CC3CC(=O)c4ccccc34)CC2
|
|
chemicalCompound:molecularF... |
C22 H22 F N O2
|
|
chemicalCompound:moleculeId |
181397
|
|
chemicalCompound:mwFreebase |
351.414
|
|
chemicalCompound:alogp |
3.748
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
37.38
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.711
|
|
chemicalCompound:acdLogD |
3.171
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
351.414
|
|
chemicalCompound:acdMostBpk... |
7.792
|
|
chemicalCompound:chemblId |
CHEMBL109548
|
|
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 |
|
