|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
|
|
chemicalCompound:standardIn... |
WYWNEDARFVJQSG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1[nH]c2ccc(O)cc2c1CCN
|
|
chemicalCompound:molecularF... |
C11H14N2O
|
|
chemicalCompound:moleculeId |
2010
|
|
chemicalCompound:mwFreebase |
190.242
|
|
chemicalCompound:alogp |
1.454
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
62.04
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.166
|
|
chemicalCompound:acdLogP |
0.508
|
|
chemicalCompound:acdLogD |
-1.677
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
190.242
|
|
chemicalCompound:acdMostBpk... |
9.527
|
|
chemicalCompound:chemblId |
CHEMBL266591
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:88729,
activity:88730,
activity:88731,
activity:88732,
activity:88733,
activity:99572,
activity:164912,
activity:453085,
activity:453086,
activity:506042,
activity:506043,
activity:506044,
activity:506045,
activity:699652,
activity:699653,
activity:699654,
activity:699655,
activity:799096,
activity:836349,
activity:884282,
activity:884283,
activity:884284,
activity:941678,
activity:941679,
activity:941680,
activity:1015322,
activity:1015323,
activity:1015324,
activity:1015325,
activity:1015326,
activity:1015327,
activity:1080515,
activity:1287298,
activity:1287299,
activity:1302969,
activity:2622443,
activity:2622452,
activity:2622454,
activity:2622462,
activity:3708535,
activity:3933462,
activity:4019506,
activity:4403557,
activity:4545809,
activity:4606780,
activity:4977727,
activity:4982015,
activity:4994282,
activity:5025389,
activity:5046755,
activity:5073277,
activity:5084132,
activity:5084143,
activity:5755966,
activity:5779219,
activity:5987104,
activity:5987932,
activity:6025234,
activity:6028314,
activity:6032278,
activity:6035670,
activity:6057436,
activity:6059533,
activity:6060527,
activity:6067038
|
