|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
|
|
chemicalCompound:standardIn... |
IDBPHNDTYPBSNI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)c3ccccc3)C1=O
|
|
chemicalCompound:molecularF... |
C21H32N6O3
|
|
chemicalCompound:moleculeId |
27190
|
|
chemicalCompound:mwFreebase |
416.517
|
|
chemicalCompound:alogp |
2.245
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
81.05
|
|
chemicalCompound:rtb |
9
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.16
|
|
chemicalCompound:acdLogD |
1.813
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
416.517
|
|
chemicalCompound:acdMostBpk... |
7.821
|
|
chemicalCompound:chemblId |
CHEMBL634
|
|
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 |
ALFENTANIL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1986
|
|
chemicalCompound:activity |
activity:81601,
activity:81602,
activity:81603,
activity:93797,
activity:93798,
activity:93799,
activity:146848,
activity:146849,
activity:146850,
activity:146851,
activity:146852,
activity:146853,
activity:146854,
activity:146855,
activity:146856,
activity:146857,
activity:146858,
activity:314733,
activity:314734,
activity:314735,
activity:314736,
activity:314737,
activity:453228,
activity:453229,
activity:453230,
activity:597287,
activity:597288,
activity:597289,
activity:944250,
activity:944251,
activity:944252,
activity:944253,
activity:944254,
activity:944255,
activity:944256,
activity:944257,
activity:944258,
activity:944259,
activity:944260,
activity:944261,
activity:944262,
activity:944263,
activity:944264,
activity:944265,
activity:944266,
activity:944267,
activity:944268,
activity:944269,
activity:944270,
activity:944271,
activity:944272,
activity:944273,
activity:944274,
activity:944275,
activity:944276,
activity:944277,
activity:944278,
activity:944279,
activity:944280
|
