|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
|
|
chemicalCompound:standardIn... |
XXPANQJNYNUNES-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CC(c2ccccc2)c3cccc(N)c3C1
|
|
chemicalCompound:molecularF... |
C16H18N2
|
|
chemicalCompound:moleculeId |
16225
|
|
chemicalCompound:mwFreebase |
238.328
|
|
chemicalCompound:alogp |
2.583
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
29.26
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.012
|
|
chemicalCompound:acdLogD |
0.32
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
238.328
|
|
chemicalCompound:acdMostBpk... |
7.854
|
|
chemicalCompound:chemblId |
CHEMBL273575
|
|
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 |
NOMIFENSINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:73084,
activity:73085,
activity:73086,
activity:73087,
activity:73088,
activity:183963,
activity:231711,
activity:231712,
activity:231713,
activity:231714,
activity:231715,
activity:231716,
activity:236698,
activity:236699,
activity:236700,
activity:236701,
activity:236702,
activity:236703,
activity:262446,
activity:262447,
activity:262448,
activity:262449,
activity:262450,
activity:262451,
activity:343907,
activity:343908,
activity:343909,
activity:343910,
activity:343911,
activity:343912,
activity:437776,
activity:437777,
activity:437778,
activity:437779,
activity:454858,
activity:454859,
activity:454860,
activity:457752,
activity:457753,
activity:457754,
activity:468687,
activity:468688,
activity:468689,
activity:468690,
activity:468691,
activity:727377,
activity:727378,
activity:727379,
activity:727380,
activity:727381,
activity:727382,
activity:1135757,
activity:1135758,
activity:1135759,
activity:1135760,
activity:1135761,
activity:1135762,
activity:1135763,
activity:1135764,
activity:1135765,
activity:1135766,
activity:1135767
|
