|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
|
|
chemicalCompound:standardIn... |
JZQKTMZYLHNFPL-BLHCBFLLSA-N
|
|
chemicalCompound:canonicalS... |
CCCCC\C=C\C=C\C=O
|
|
chemicalCompound:molecularF... |
C10H16O
|
|
chemicalCompound:moleculeId |
446200
|
|
chemicalCompound:mwFreebase |
152.233
|
|
chemicalCompound:alogp |
3.21
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
17.07
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.419
|
|
chemicalCompound:acdLogD |
3.419
|
|
chemicalCompound:fullMwt |
152.233
|
|
chemicalCompound:chemblId |
CHEMBL443949
|
|
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:2531886,
activity:2531887,
activity:2531888,
activity:2531889,
activity:2531890,
activity:2531891,
activity:2531892,
activity:2531893,
activity:2531894,
activity:2531895,
activity:2531896,
activity:2531897,
activity:2531898,
activity:2531899,
activity:3607741,
activity:3658008,
activity:3698423,
activity:3773540,
activity:3774773,
activity:3778884,
activity:3894576,
activity:3902819,
activity:3903985,
activity:3913434,
activity:3919688,
activity:3942326,
activity:3951323,
activity:4106363,
activity:4159177,
activity:4291440,
activity:4663335,
activity:4670765,
activity:4717835,
activity:4735021,
activity:4749342,
activity:4865075,
activity:4868886,
activity:4872851,
activity:4896394,
activity:4901583,
activity:4902063,
activity:4976478,
activity:4980632,
activity:5019581,
activity:5068986,
activity:7063015,
activity:7475640
|
