|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
|
|
chemicalCompound:standardIn... |
VNZLQLYBRIOLFZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccccc1N2CCNCC2
|
|
chemicalCompound:molecularF... |
C11H16N2O
|
|
chemicalCompound:moleculeId |
5925
|
|
chemicalCompound:mwFreebase |
192.258
|
|
chemicalCompound:alogp |
1.397
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
24.5
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.238
|
|
chemicalCompound:acdLogD |
-0.061
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
192.258
|
|
chemicalCompound:acdMostBpk... |
8.976
|
|
chemicalCompound:chemblId |
CHEMBL9666
|
|
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:159251,
activity:159252,
activity:281184,
activity:281185,
activity:281186,
activity:281187,
activity:281188,
activity:281189,
activity:281190,
activity:281191,
activity:281192,
activity:281193,
activity:281194,
activity:341500,
activity:341501,
activity:341502,
activity:341503,
activity:341504,
activity:341505,
activity:341506,
activity:361405,
activity:418372,
activity:427417,
activity:427418,
activity:427419,
activity:427420,
activity:427421,
activity:427422,
activity:427423,
activity:427424,
activity:427425,
activity:503989,
activity:678856,
activity:815579,
activity:815580,
activity:835269,
activity:846242,
activity:1012741,
activity:1012742,
activity:1012743,
activity:1012744,
activity:1023853,
activity:1106314,
activity:1106315,
activity:1111156,
activity:1111157,
activity:1426282,
activity:4020276,
activity:5507921,
activity:5570298,
activity:5573032,
activity:5776063,
activity:5998348,
activity:6005620,
activity:6008853,
activity:6021034,
activity:6041924,
activity:6808978,
activity:7356707
|
