|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H22N4/c1-25(2)22-20(15-23)21(13-14-24-22)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3
|
|
chemicalCompound:standardIn... |
FSZZPPMHTJCPBD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1nccc(N(Cc2ccccc2)Cc3ccccc3)c1C#N
|
|
chemicalCompound:molecularF... |
C22H22N4
|
|
chemicalCompound:moleculeId |
915742
|
|
chemicalCompound:mwFreebase |
342.437
|
|
chemicalCompound:alogp |
3.968
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.16
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.193
|
|
chemicalCompound:acdLogD |
5.165
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
342.437
|
|
chemicalCompound:acdMostBpk... |
6.231
|
|
chemicalCompound:chemblId |
CHEMBL1491858
|
|
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:3653296,
activity:3733303,
activity:4077369,
activity:4274979,
activity:4442783,
activity:4491745,
activity:4532288,
activity:4791375,
activity:4937319,
activity:5059903,
activity:5546879,
activity:5571635,
activity:5626199,
activity:5662408,
activity:5750150,
activity:5938473,
activity:5990927,
activity:6010877,
activity:6052738,
activity:6053594,
activity:6068528,
activity:6688102,
activity:6799775,
activity:7135070,
activity:7206721,
activity:7413623
|
