|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3
|
|
chemicalCompound:standardIn... |
RUZIUYOSRDWYQF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
|
|
chemicalCompound:molecularF... |
C21H25NO4
|
|
chemicalCompound:moleculeId |
54704
|
|
chemicalCompound:mwFreebase |
355.427
|
|
chemicalCompound:alogp |
3.534
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
40.16
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.814
|
|
chemicalCompound:acdLogD |
1.777
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
355.427
|
|
chemicalCompound:acdMostBpk... |
6.349
|
|
chemicalCompound:chemblId |
CHEMBL36536
|
|
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:3688310,
activity:3718292,
activity:4002832,
activity:4051737,
activity:4152873,
activity:4235113,
activity:4321372,
activity:4351309,
activity:4609487,
activity:4664877,
activity:4837450,
activity:5422443,
activity:5504652,
activity:5511247,
activity:5773628,
activity:5781946,
activity:5782836,
activity:5880521,
activity:6540131,
activity:6589187,
activity:6750414,
activity:6767487,
activity:7154611,
activity:7253537,
activity:7340896
|
