|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
|
|
chemicalCompound:standardIn... |
YEWGIGCYIAMFMA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCc2ccccc2Cc3[nH]c4ccccc4c3CC1
|
|
chemicalCompound:molecularF... |
C20H22N2
|
|
chemicalCompound:moleculeId |
100867
|
|
chemicalCompound:mwFreebase |
290.402
|
|
chemicalCompound:alogp |
4.437
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
19.03
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.816
|
|
chemicalCompound:acdLogD |
2.154
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
290.402
|
|
chemicalCompound:acdMostBpk... |
9.212
|
|
chemicalCompound:chemblId |
CHEMBL441618
|
|
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:809013,
activity:809014,
activity:809015,
activity:809016,
activity:809017,
activity:809018,
activity:809019,
activity:809020,
activity:809021,
activity:809022,
activity:809023,
activity:809024,
activity:809025,
activity:809026,
activity:809027,
activity:809028,
activity:809029,
activity:809030,
activity:809031,
activity:809032,
activity:809033,
activity:809034,
activity:1688866,
activity:1691622,
activity:1691635,
activity:1691649,
activity:1691663,
activity:1691677,
activity:1691691,
activity:1691705,
activity:1776903,
activity:1776904,
activity:1776905,
activity:1776906,
activity:1776907,
activity:1776908,
activity:1776909,
activity:1776910,
activity:2017980,
activity:2017981,
activity:2017984,
activity:2017985,
activity:2017996,
activity:2017999,
activity:2018002,
activity:2018005,
activity:2018006,
activity:2018007,
activity:2018036,
activity:2445307,
activity:2445320,
activity:2461226,
activity:3188575,
activity:3188581,
activity:3481314,
activity:3481328,
activity:3481427,
activity:3481441,
activity:3481477,
activity:3481611,
activity:3482360,
activity:3492507,
activity:3619018,
activity:3634952,
activity:3695224,
activity:3735259,
activity:3797052
|
