|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
|
|
chemicalCompound:standardIn... |
VYFYYTLLBUKUHU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCCc1ccc(O)c(O)c1
|
|
chemicalCompound:molecularF... |
C8H11NO2
|
|
chemicalCompound:moleculeId |
4584
|
|
chemicalCompound:mwFreebase |
153.178
|
|
chemicalCompound:alogp |
0.773
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
66.48
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.394
|
|
chemicalCompound:acdLogP |
0.046
|
|
chemicalCompound:acdLogD |
-2.213
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
153.178
|
|
chemicalCompound:acdMostBpk... |
10.11
|
|
chemicalCompound:chemblId |
CHEMBL59
|
|
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 |
DOPAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:55239,
activity:55240,
activity:64029,
activity:111344,
activity:111345,
activity:111346,
activity:111347,
activity:111348,
activity:111349,
activity:112668,
activity:112669,
activity:112828,
activity:112829,
activity:112830,
activity:112831,
activity:141277,
activity:141278,
activity:147505,
activity:187885,
activity:206405,
activity:206406,
activity:206407,
activity:206408,
activity:250189,
activity:250190,
activity:266417,
activity:266418,
activity:266419,
activity:266420,
activity:280285,
activity:280286,
activity:280287,
activity:280288,
activity:334380,
activity:334381,
activity:334382,
activity:334383,
activity:334384,
activity:360873,
activity:360874,
activity:360875,
activity:360876,
activity:368235,
activity:374514,
activity:374515,
activity:408956,
activity:408957,
activity:408958,
activity:408959,
activity:408960,
activity:419017,
activity:419018,
activity:419019,
activity:419020,
activity:419021,
activity:419022,
activity:419023,
activity:419654
|
