|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
|
|
chemicalCompound:standardIn... |
DECIPOUIJURFOJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOc1ccc2NC(C)(C)C=C(C)c2c1
|
|
chemicalCompound:molecularF... |
C14 H19 N O
|
|
chemicalCompound:moleculeId |
291406
|
|
chemicalCompound:mwFreebase |
217.307
|
|
chemicalCompound:alogp |
3.221
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
21.26
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.105
|
|
chemicalCompound:acdLogD |
4.103
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
217.307
|
|
chemicalCompound:acdMostBpk... |
5.023
|
|
chemicalCompound:chemblId |
CHEMBL172064
|
|
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:347283,
activity:347284,
activity:347285,
activity:347286,
activity:347287,
activity:347288,
activity:3615638,
activity:3624571,
activity:3658593,
activity:3665954,
activity:3686409,
activity:3703498,
activity:3710871,
activity:3744397,
activity:3778956,
activity:3931237,
activity:3940777,
activity:4006026,
activity:4072951,
activity:4106441,
activity:4123327,
activity:4130618,
activity:4181629,
activity:4195947,
activity:4321715,
activity:4397081,
activity:4462448,
activity:4468845,
activity:4518895,
activity:4533086,
activity:4587271,
activity:4594870,
activity:4604964,
activity:4674508,
activity:4723550,
activity:4756833,
activity:4783706,
activity:4785035,
activity:4803859,
activity:4821756,
activity:4845320,
activity:4969800,
activity:4984495,
activity:4989571,
activity:5006138,
activity:5037398,
activity:5054763,
activity:5061466,
activity:5070950,
activity:5391024,
activity:5742758,
activity:5808613,
activity:5861434,
activity:5865551,
activity:5987246,
activity:6060631,
activity:6061519,
activity:6063653,
activity:6071330,
activity:6433162,
activity:6438497,
activity:6445125,
activity:6468052,
activity:6553833,
activity:6558645,
activity:6577321,
activity:6839257
|
