|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H14N2O/c12-13-10-8-2-6-1-7(3-8)5-9(4-6)11(10)14/h6-9H,1-5H2
|
|
chemicalCompound:standardIn... |
AELLTOPYBRVUAP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[N-]=[N+]=C1C2CC3CC(CC(C3)C1=O)C2
|
|
chemicalCompound:molecularF... |
C11H14N2O
|
|
chemicalCompound:moleculeId |
1311705
|
|
chemicalCompound:mwFreebase |
190.242
|
|
chemicalCompound:alogp |
2.32
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
54.46
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.523
|
|
chemicalCompound:acdLogD |
2.523
|
|
chemicalCompound:fullMwt |
190.242
|
|
chemicalCompound:chemblId |
CHEMBL1990414
|
|
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:8289795,
activity:8339732,
activity:8354894,
activity:8373781,
activity:8389511,
activity:8475539,
activity:8544910,
activity:8560352,
activity:8636916,
activity:8697112,
activity:8717168,
activity:8737177,
activity:8744043,
activity:8845591,
activity:8876563,
activity:8897217,
activity:8940308,
activity:9040522,
activity:9056259,
activity:9130399,
activity:9137118,
activity:9157106,
activity:9186262,
activity:9261256,
activity:9271984,
activity:9329937,
activity:9349587,
activity:9403716,
activity:9406354,
activity:9478625,
activity:9489618,
activity:9662306,
activity:9664584,
activity:9741114,
activity:9756081,
activity:9830342,
activity:9861355,
activity:9902781,
activity:9932864,
activity:9965475,
activity:10050947,
activity:10052851,
activity:10114354,
activity:10141594,
activity:10223627,
activity:10256925,
activity:10296135,
activity:10342327,
activity:10401162,
activity:10412912,
activity:10467624,
activity:10523573,
activity:10565561,
activity:10584923,
activity:10641698,
activity:10656279,
activity:10673765,
activity:10702772,
activity:10767096,
activity:10823599
|
