|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
|
|
chemicalCompound:standardIn... |
JRWZLRBJNMZMFE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
|
|
chemicalCompound:molecularF... |
C18 H23 N O3
|
|
chemicalCompound:moleculeId |
84505
|
|
chemicalCompound:mwFreebase |
301.38
|
|
chemicalCompound:alogp |
3.701
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
72.72
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.651
|
|
chemicalCompound:acdLogP |
2.531
|
|
chemicalCompound:acdLogD |
-0.019
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
301.38
|
|
chemicalCompound:acdMostBpk... |
10.374
|
|
chemicalCompound:chemblId |
CHEMBL926
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DOBUTAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:432759,
activity:432760,
activity:432761,
activity:432762,
activity:432763,
activity:432764,
activity:432765,
activity:432766,
activity:432767,
activity:432768,
activity:695707,
activity:877045,
activity:877046,
activity:877047,
activity:877048,
activity:1119931,
activity:2589943,
activity:2589962,
activity:3426848,
activity:3426855,
activity:3426862,
activity:3426869,
activity:3426876,
activity:3426883,
activity:3426890,
activity:3426897,
activity:3426904,
activity:3426911,
activity:3426918,
activity:3426925,
activity:3426932,
activity:3493084,
activity:3493103,
activity:3493122,
activity:3665155,
activity:3750287,
activity:4375351,
activity:5317312,
activity:5318263,
activity:5319214,
activity:5321647,
activity:5321648,
activity:5321649,
activity:5321650,
activity:5321651,
activity:5321652,
activity:5321653,
activity:5321654,
activity:5321655,
activity:5321656,
activity:5321657,
activity:5321658,
activity:5321659,
activity:5321660,
activity:5321661,
activity:5321662,
activity:5321663,
activity:5321664
|
