|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
|
|
chemicalCompound:standardIn... |
VMWNQDUVQKEIOC-CYBMUJFWSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34
|
|
chemicalCompound:molecularF... |
C17H17NO2
|
|
chemicalCompound:moleculeId |
3854
|
|
chemicalCompound:mwFreebase |
267.322
|
|
chemicalCompound:alogp |
3.116
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
43.7
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.431
|
|
chemicalCompound:acdLogP |
1.703
|
|
chemicalCompound:acdLogD |
1.161
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
267.322
|
|
chemicalCompound:acdMostBpk... |
7.881
|
|
chemicalCompound:chemblId |
CHEMBL53
|
|
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... |
Yes
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
APOMORPHINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2004
|
|
chemicalCompound:activity |
activity:48971,
activity:48972,
activity:48973,
activity:48974,
activity:48975,
activity:80167,
activity:80168,
activity:80169,
activity:80170,
activity:80171,
activity:80172,
activity:80173,
activity:80174,
activity:150828,
activity:150829,
activity:150830,
activity:150831,
activity:150832,
activity:150833,
activity:150834,
activity:150835,
activity:159465,
activity:159466,
activity:159467,
activity:159468,
activity:159469,
activity:163057,
activity:169253,
activity:183608,
activity:183609,
activity:183610,
activity:191600,
activity:191601,
activity:191602,
activity:191603,
activity:191604,
activity:191605,
activity:191606,
activity:198324,
activity:198555,
activity:198556,
activity:198557,
activity:198558,
activity:198984,
activity:198985,
activity:198986,
activity:198987,
activity:203361,
activity:214406,
activity:214407,
activity:214408,
activity:214409,
activity:214446,
activity:214447,
activity:214448,
activity:214449,
activity:214450,
activity:214451
|
