|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
|
|
chemicalCompound:standardIn... |
FHQYJZCJRZHINA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCN(CC)c1nc(C)nc2c1c(C)cn2c3c(C)cc(C)cc3C
|
|
chemicalCompound:molecularF... |
C23H32N4
|
|
chemicalCompound:moleculeId |
6714
|
|
chemicalCompound:mwFreebase |
364.527
|
|
chemicalCompound:alogp |
6.605
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
33.95
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.965
|
|
chemicalCompound:acdLogD |
5.769
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
364.527
|
|
chemicalCompound:acdMostBpk... |
6.968
|
|
chemicalCompound:chemblId |
CHEMBL9946
|
|
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 |
CP-154526
|
|
chemicalCompound:activity |
activity:576977,
activity:644937,
activity:763446,
activity:772332,
activity:795761,
activity:795762,
activity:795763,
activity:795764,
activity:795765,
activity:795766,
activity:795767,
activity:795768,
activity:877976,
activity:1065595,
activity:1076220,
activity:1417692,
activity:1431672,
activity:1431673,
activity:1492779,
activity:1492780,
activity:2040201,
activity:2077289,
activity:2243584,
activity:5083964,
activity:6158023,
activity:6301776
|
