|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
|
|
chemicalCompound:standardIn... |
XXEPPPIWZFICOJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN(CC)C(C)C(=O)c1ccccc1
|
|
chemicalCompound:molecularF... |
C13H19NO
|
|
chemicalCompound:moleculeId |
668616
|
|
chemicalCompound:mwFreebase |
205.296
|
|
chemicalCompound:alogp |
2.757
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
20.31
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.553
|
|
chemicalCompound:acdLogD |
1.438
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
205.296
|
|
chemicalCompound:acdMostBpk... |
8.485
|
|
chemicalCompound:chemblId |
CHEMBL1194666
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DIETHYLPROPION
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:7835658,
activity:7835659,
activity:7835660,
activity:7835661,
activity:7835662,
activity:7835663,
activity:7835664,
activity:7835665,
activity:7835666,
activity:7835667,
activity:7835668,
activity:7835669,
activity:7835670,
activity:7835671
|
