|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H26N2O2/c1-23-19-8-6-7-16(20(19)24-2)15-21-17-9-11-18(12-10-17)22-13-4-3-5-14-22/h6-12,21H,3-5,13-15H2,1-2H3
|
|
chemicalCompound:standardIn... |
HYQDZOJHGOMQRZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cccc(CNc2ccc(cc2)N3CCCCC3)c1OC
|
|
chemicalCompound:molecularF... |
C20H26N2O2
|
|
chemicalCompound:moleculeId |
746447
|
|
chemicalCompound:mwFreebase |
326.433
|
|
chemicalCompound:alogp |
4.268
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.73
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.263
|
|
chemicalCompound:acdLogD |
4.187
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
326.433
|
|
chemicalCompound:acdMostBpk... |
6.466
|
|
chemicalCompound:chemblId |
CHEMBL1322563
|
|
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:3659085,
activity:3729581,
activity:3756102,
activity:3927152,
activity:3957956,
activity:3970121,
activity:4029435,
activity:4096588,
activity:4157402,
activity:4229134,
activity:4321855,
activity:4371889,
activity:4421580,
activity:4425278,
activity:4467448,
activity:4516965,
activity:4545687,
activity:4609220,
activity:4625801,
activity:4633761,
activity:4724493,
activity:4759489,
activity:4822654,
activity:4932821,
activity:5353032,
activity:5558092,
activity:5732134,
activity:5825267,
activity:5861414,
activity:5981011,
activity:6460868,
activity:6784335,
activity:6805983,
activity:7035458,
activity:7039286,
activity:7082915,
activity:7210131,
activity:7365918,
activity:7420834,
activity:7452538,
activity:7488279
|
