|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
|
|
chemicalCompound:standardIn... |
NAUWTFJOPJWYOT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4
|
|
chemicalCompound:molecularF... |
C28H32F2N2O
|
|
chemicalCompound:moleculeId |
24971
|
|
chemicalCompound:mwFreebase |
450.563
|
|
chemicalCompound:alogp |
6.114
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
15.71
|
|
chemicalCompound:rtb |
10
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.346
|
|
chemicalCompound:acdLogD |
4.926
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
450.563
|
|
chemicalCompound:acdMostBpk... |
7.549
|
|
chemicalCompound:chemblId |
CHEMBL281594
|
|
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:prefName |
GBR-12909
|
|
chemicalCompound:activity |
activity:38539,
activity:38540,
activity:38541,
activity:78143,
activity:78144,
activity:78145,
activity:78146,
activity:78147,
activity:78148,
activity:78149,
activity:78150,
activity:128933,
activity:128934,
activity:128935,
activity:128936,
activity:128937,
activity:128938,
activity:128939,
activity:128940,
activity:128941,
activity:128942,
activity:377400,
activity:377401,
activity:377402,
activity:377403,
activity:377404,
activity:377405,
activity:377406,
activity:377407,
activity:404700,
activity:404701,
activity:404702,
activity:404703,
activity:404704,
activity:404705,
activity:439648,
activity:484167,
activity:484168,
activity:484169,
activity:484170,
activity:484171,
activity:484172,
activity:484173,
activity:484174,
activity:518187,
activity:518188,
activity:518189,
activity:555612,
activity:555613,
activity:555614,
activity:555615,
activity:555616,
activity:555617,
activity:604335,
activity:604336,
activity:609330,
activity:609331,
activity:609332,
activity:609333,
activity:609334,
activity:609335,
activity:616616,
activity:616617,
activity:629509
|
