|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C26H38N4/c1-3-9-25(10-4-1)23-29-15-7-13-28-18-17-27(19-21-29)14-8-16-30(22-20-28)24-26-11-5-2-6-12-26/h1-6,9-12H,7-8,13-24H2
|
|
chemicalCompound:standardIn... |
FGVBSRHTSFUPNH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C(N1CCCN2CCN(Cc3ccccc3)CCCN(CC1)CC2)c4ccccc4
|
|
chemicalCompound:molecularF... |
C26H38N4
|
|
chemicalCompound:moleculeId |
1309355
|
|
chemicalCompound:mwFreebase |
406.607
|
|
chemicalCompound:alogp |
3.665
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.96
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.342
|
|
chemicalCompound:acdLogD |
2.346
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
406.607
|
|
chemicalCompound:acdMostBpk... |
8.128
|
|
chemicalCompound:chemblId |
CHEMBL1988064
|
|
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:8265863,
activity:8271828,
activity:8321559,
activity:8336766,
activity:8371768,
activity:8422331,
activity:8457681,
activity:8495432,
activity:8526716,
activity:8542221,
activity:8618794,
activity:8675140,
activity:8699485,
activity:8790363,
activity:8792999,
activity:8827331,
activity:8866173,
activity:8874864,
activity:8925739,
activity:8989052,
activity:9012172,
activity:9022309,
activity:9112713,
activity:9119246,
activity:9206457,
activity:9239271,
activity:9250099,
activity:9307853,
activity:9324516,
activity:9388531,
activity:9460983,
activity:9467947,
activity:9530233,
activity:9641241,
activity:9733985,
activity:9813152,
activity:9843492,
activity:9884936,
activity:9915028,
activity:9947607,
activity:9983313,
activity:10042096,
activity:10102469,
activity:10123724,
activity:10166183,
activity:10205823,
activity:10234937,
activity:10278463,
activity:10289633,
activity:10390318,
activity:10410954,
activity:10463827,
activity:10515905,
activity:10544377,
activity:10624141,
activity:10638959,
activity:10722270,
activity:10738121,
activity:10745249
|
