|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H25NO3/c1-20-14-10-12-6-9-18-16(13(12)11-15(14)21-2)17(19)7-4-3-5-8-17/h10-11,16,18-19H,3-9H2,1-2H3
|
|
chemicalCompound:standardIn... |
AUNGERODPATJIY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc2CCNC(c2cc1OC)C3(O)CCCCC3
|
|
chemicalCompound:molecularF... |
C17H25NO3
|
|
chemicalCompound:moleculeId |
929486
|
|
chemicalCompound:mwFreebase |
291.385
|
|
chemicalCompound:alogp |
2.613
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
50.72
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.497
|
|
chemicalCompound:acdLogD |
1.208
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
291.385
|
|
chemicalCompound:acdMostBpk... |
8.898
|
|
chemicalCompound:chemblId |
CHEMBL1505602
|
|
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:4079268,
activity:4496730,
activity:4763200,
activity:6926102,
activity:8285507,
activity:8335389,
activity:8346237,
activity:8372299,
activity:8435927,
activity:8462574,
activity:8522659,
activity:8628018,
activity:8688620,
activity:8728514,
activity:8739712,
activity:8836719,
activity:8892931,
activity:8939513,
activity:9002538,
activity:9078768,
activity:9112974,
activity:9128601,
activity:9208840,
activity:9224499,
activity:9252853,
activity:9296902,
activity:9321472,
activity:9395118,
activity:9397727,
activity:9481091,
activity:9649995,
activity:9685577,
activity:9728098,
activity:9822007,
activity:9857109,
activity:9898520,
activity:9924378,
activity:9965618,
activity:10070926,
activity:10078493,
activity:10111620,
activity:10132990,
activity:10219327,
activity:10338164,
activity:10361816,
activity:10529469,
activity:10538231,
activity:10557350,
activity:10637570,
activity:10647965,
activity:10735832,
activity:10747413,
activity:10758763
|
