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 |
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