|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
|
|
chemicalCompound:standardIn... |
GGCSSNBKKAUURC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2
|
|
chemicalCompound:molecularF... |
C22H30N2O2S
|
|
chemicalCompound:moleculeId |
27638
|
|
chemicalCompound:mwFreebase |
386.551
|
|
chemicalCompound:alogp |
3.231
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
61.02
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.95
|
|
chemicalCompound:acdLogD |
3.558
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
386.551
|
|
chemicalCompound:acdMostBpk... |
7.886
|
|
chemicalCompound:chemblId |
CHEMBL658
|
|
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 |
SUFENTANIL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1984
|
|
chemicalCompound:activity |
activity:90992,
activity:101820,
activity:101821,
activity:101822,
activity:162686,
activity:200889,
activity:340278,
activity:340279,
activity:340280,
activity:340281,
activity:340282,
activity:450727,
activity:450728,
activity:450729,
activity:607236,
activity:607237,
activity:607238,
activity:916283,
activity:916284,
activity:916285,
activity:1504867,
activity:2058597,
activity:2672651,
activity:2672652,
activity:2979934,
activity:2981044,
activity:2981054,
activity:2990439,
activity:2990445,
activity:2990575,
activity:2990629,
activity:2991984,
activity:2994860,
activity:5080022,
activity:5082837,
activity:5082920,
activity:5083162,
activity:5083200,
activity:5322928,
activity:5322929,
activity:5322930,
activity:5322931,
activity:5322932,
activity:5322933,
activity:5322934,
activity:5322935,
activity:5322936,
activity:5322937,
activity:5322938,
activity:5322939,
activity:5322940,
activity:5322941,
activity:5322942,
activity:5322943,
activity:5322944,
activity:5322945,
activity:7837532,
activity:7837533
|
