|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H25F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18,22,27H,1-2,11-15H2
|
|
chemicalCompound:standardIn... |
ICAYNKLSQSKOJZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(F)cc3
|
|
chemicalCompound:molecularF... |
C22 H25 F2 N O2
|
|
chemicalCompound:moleculeId |
314401
|
|
chemicalCompound:mwFreebase |
373.436
|
|
chemicalCompound:alogp |
4.179
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
40.54
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.876
|
|
chemicalCompound:acdLogD |
2.405
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
373.436
|
|
chemicalCompound:acdMostBpk... |
8.842
|
|
chemicalCompound:chemblId |
CHEMBL188237
|
|
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:1473844,
activity:8255897,
activity:8292894,
activity:8306988,
activity:8377147,
activity:8410586,
activity:8447929,
activity:8481339,
activity:8555122,
activity:8566442,
activity:8644629,
activity:8647172,
activity:8663489,
activity:8701007,
activity:8756396,
activity:8853576,
activity:8860605,
activity:8905025,
activity:8934007,
activity:8968426,
activity:9010102,
activity:9043187,
activity:9064510,
activity:9105203,
activity:9142871,
activity:9165031,
activity:9182510,
activity:9189942,
activity:9227690,
activity:9277992,
activity:9323836,
activity:9357766,
activity:9425449,
activity:9427287,
activity:9436339,
activity:9506386,
activity:9538130,
activity:9570579,
activity:9676302,
activity:9722407,
activity:9724550,
activity:9776548,
activity:9807458,
activity:9864707,
activity:9936197,
activity:9973069,
activity:9984482,
activity:10035038,
activity:10057697,
activity:10108337,
activity:10145083,
activity:10147619,
activity:10235681,
activity:10256039,
activity:10275564,
activity:10286499,
activity:10293807,
activity:10341350,
activity:10383298,
activity:10463080,
activity:10504297,
activity:10515266,
activity:10522793,
activity:10581279,
activity:10588537,
activity:10662002
|
