|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
|
|
chemicalCompound:standardIn... |
UEQUQVLFIPOEMF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCN2C(C1)c3ccccc3Cc4ccccc24
|
|
chemicalCompound:molecularF... |
C18H20N2
|
|
chemicalCompound:moleculeId |
573
|
|
chemicalCompound:mwFreebase |
264.365
|
|
chemicalCompound:alogp |
3.706
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
6.48
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.143
|
|
chemicalCompound:acdLogD |
0.765
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
264.365
|
|
chemicalCompound:acdMostBpk... |
8.255
|
|
chemicalCompound:chemblId |
CHEMBL6437
|
|
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 |
MIANSERIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:74762,
activity:74763,
activity:74764,
activity:81908,
activity:81909,
activity:81910,
activity:81911,
activity:81912,
activity:145924,
activity:145925,
activity:145926,
activity:145927,
activity:145928,
activity:145929,
activity:145930,
activity:145931,
activity:145932,
activity:208110,
activity:210052,
activity:233443,
activity:240667,
activity:240668,
activity:240669,
activity:257076,
activity:257077,
activity:257078,
activity:257079,
activity:257080,
activity:353709,
activity:353710,
activity:363843,
activity:363844,
activity:372346,
activity:372347,
activity:386970,
activity:386971,
activity:386972,
activity:386973,
activity:386974,
activity:386975,
activity:386976,
activity:386977,
activity:386978,
activity:386979,
activity:386980,
activity:386981,
activity:386982,
activity:386983,
activity:386984,
activity:386985,
activity:689262,
activity:689263,
activity:689264,
activity:730785,
activity:730786,
activity:730787,
activity:730788,
activity:730789,
activity:730790,
activity:730791,
activity:730792,
activity:730793,
activity:730794
|
