|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
|
|
chemicalCompound:standardIn... |
RONZAEMNMFQXRA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCN2C(C1)c3ccccc3Cc4cccnc24
|
|
chemicalCompound:molecularF... |
C17H19N3
|
|
chemicalCompound:moleculeId |
27610
|
|
chemicalCompound:mwFreebase |
265.353
|
|
chemicalCompound:alogp |
3.094
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
19.37
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.888
|
|
chemicalCompound:acdLogD |
0.282
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
265.353
|
|
chemicalCompound:acdMostBpk... |
8.097
|
|
chemicalCompound:chemblId |
CHEMBL654
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
MIRTAZAPINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1994
|
|
chemicalCompound:activity |
activity:453243,
activity:453244,
activity:453245,
activity:459719,
activity:459720,
activity:459721,
activity:459722,
activity:459723,
activity:901324,
activity:901325,
activity:901326,
activity:901327,
activity:983879,
activity:983880,
activity:983881,
activity:983882,
activity:983883,
activity:983884,
activity:1066117,
activity:1066118,
activity:1066119,
activity:1066120,
activity:1066121,
activity:1066122,
activity:1066123,
activity:1066124,
activity:1066125,
activity:1066126,
activity:1066127,
activity:1066128,
activity:1066129,
activity:1066130,
activity:1066131,
activity:1066132,
activity:1518455,
activity:1518456,
activity:1518457,
activity:1518458,
activity:1518459,
activity:1518460,
activity:1518461,
activity:1518462,
activity:1518463,
activity:1518464,
activity:1518465,
activity:1518466,
activity:1518467,
activity:1518468,
activity:1518469,
activity:1518470,
activity:1518471,
activity:2062725,
activity:2062784,
activity:2150586,
activity:2150597,
activity:2456732
|
