|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3
|
|
chemicalCompound:standardIn... |
ZTVQQQVZCWLTDF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCC(=O)N(c1ccccc1)C2(CCN(CCC(=O)OC)CC2)C(=O)OC
|
|
chemicalCompound:molecularF... |
C20 H28 N2 O5
|
|
chemicalCompound:moleculeId |
111871
|
|
chemicalCompound:mwFreebase |
376.447
|
|
chemicalCompound:alogp |
1.666
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
76.15
|
|
chemicalCompound:rtb |
9
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.792
|
|
chemicalCompound:acdLogD |
1.75
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
376.447
|
|
chemicalCompound:acdMostBpk... |
6.651
|
|
chemicalCompound:chemblId |
CHEMBL1005
|
|
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 |
REMIFENTANIL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1996
|
|
chemicalCompound:activity |
activity:611945,
activity:611946,
activity:611947,
activity:611948,
activity:2084628,
activity:2672603,
activity:2672604,
activity:5079140,
activity:5079777,
activity:5080145,
activity:5080269,
activity:5080695,
activity:5322043,
activity:5322044,
activity:5322045,
activity:5322046,
activity:5322047,
activity:5322048,
activity:5322049,
activity:5322050,
activity:5322051,
activity:5322052,
activity:5322053,
activity:5322054,
activity:5322055,
activity:5322056,
activity:5322057,
activity:5322058,
activity:5322059,
activity:5322060,
activity:7832303,
activity:7832304,
activity:7832305,
activity:7832306,
activity:7832307,
activity:7832308,
activity:7832309,
activity:7832310,
activity:7832311,
activity:7832312,
activity:7832313,
activity:7832314,
activity:7832315,
activity:7832316
|
