|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
|
|
chemicalCompound:standardIn... |
IUWVALYLNVXWKX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCOC(=O)c1ccc(N)cc1
|
|
chemicalCompound:molecularF... |
C11H15NO2
|
|
chemicalCompound:moleculeId |
209964
|
|
chemicalCompound:mwFreebase |
193.242
|
|
chemicalCompound:alogp |
2.267
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
52.32
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.854
|
|
chemicalCompound:acdLogD |
2.854
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
193.242
|
|
chemicalCompound:acdMostBpk... |
2.39
|
|
chemicalCompound:chemblId |
CHEMBL127516
|
|
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:prefName |
BUTAMBEN
|
|
chemicalCompound:activity |
activity:351036,
activity:351037,
activity:2385478,
activity:3647038,
activity:3807907,
activity:3925757,
activity:4016285,
activity:4075988,
activity:4484552,
activity:4620532,
activity:4644907,
activity:4766647,
activity:4993601,
activity:5010110,
activity:5058705,
activity:5073181,
activity:5078481,
activity:5609325,
activity:5668578,
activity:5917539,
activity:6000859,
activity:6029233,
activity:6040879,
activity:6044082,
activity:6055722,
activity:6471588,
activity:6569529,
activity:6672890,
activity:6903538,
activity:7014934,
activity:7047098,
activity:7134930,
activity:7149431,
activity:7387322,
activity:7609904,
activity:7609905,
activity:7609906,
activity:7609907,
activity:7609908,
activity:7609909,
activity:7609910,
activity:7609911,
activity:7609912,
activity:7609913,
activity:7609914,
activity:7609915,
activity:7609916,
activity:7609917,
activity:7609918,
activity:7609919,
activity:7609920,
activity:7609921,
activity:7609922,
activity:7609923,
activity:7609924,
activity:7609925,
activity:7609926,
activity:7609927,
activity:7609928,
activity:7609929,
activity:7609930,
activity:7609931,
activity:7609932,
activity:7609933,
activity:7609934
|
