|
rdf:type |
|
|
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-/m0/s1
|
|
chemicalCompound:standardIn... |
VMWNQDUVQKEIOC-ZDUSSCGKSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCc2cccc3c2[C@@H]1Cc4ccc(O)c(O)c34
|
|
chemicalCompound:molecularF... |
C17 H17 N O2
|
|
chemicalCompound:moleculeId |
79409
|
|
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 |
CHEMBL416288
|
|
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 |
(S)APOMORPHINE
|
|
chemicalCompound:activity |
activity:163879,
activity:163880,
activity:163881,
activity:1137782,
activity:1137783,
activity:1137784,
activity:1137785,
activity:2069486,
activity:3630994,
activity:3672714,
activity:3700939,
activity:3714309,
activity:3944014,
activity:4029658,
activity:4071785,
activity:4119692,
activity:4127808,
activity:4360401,
activity:4388247,
activity:4444957,
activity:4467732,
activity:4510549,
activity:4520417,
activity:4521541,
activity:4532903,
activity:4583910,
activity:4585995,
activity:4586242,
activity:4775770,
activity:4807581,
activity:4813338,
activity:4854744,
activity:4870764,
activity:4873848,
activity:4874306,
activity:4877509,
activity:4981508,
activity:4998071,
activity:5033484,
activity:5046722,
activity:5066823,
activity:5073037,
activity:5074291,
activity:5854075,
activity:5857200,
activity:6032970,
activity:6053242,
activity:6055301,
activity:6062605,
activity:6069655,
activity:6425907,
activity:7483967
|
