|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H20N2.ClH/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;1H
|
|
chemicalCompound:standardIn... |
YNPFMWCWRVTGKJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN1CCN2C(C1)c3ccccc3Cc4ccccc24
|
|
chemicalCompound:molecularF... |
C18H21ClN2
|
|
chemicalCompound:moleculeId |
543384
|
|
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 |
300.826
|
|
chemicalCompound:acdMostBpk... |
8.255
|
|
chemicalCompound:chemblId |
CHEMBL544428
|
|
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 HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:430212,
activity:430213,
activity:430214,
activity:430215,
activity:430216,
activity:430217,
activity:430218,
activity:430219,
activity:430220,
activity:430221,
activity:430222,
activity:430223,
activity:430224,
activity:3473057,
activity:3487026,
activity:3487027,
activity:3487028,
activity:3487029,
activity:3487030,
activity:3487031,
activity:3487032,
activity:3634923,
activity:3695258,
activity:3870239,
activity:3910486,
activity:3988927,
activity:4105603,
activity:4222024,
activity:4278619,
activity:4330678,
activity:4358429,
activity:4361695,
activity:4384975,
activity:4393605,
activity:4535926,
activity:4538275,
activity:4557209,
activity:4610909,
activity:4746000,
activity:4755699,
activity:4850729,
activity:4925935,
activity:4966454,
activity:4977430,
activity:5025138,
activity:5042628,
activity:5564243,
activity:5571005,
activity:5686144,
activity:5728616,
activity:5798668,
activity:6426388,
activity:6531145,
activity:6817337,
activity:7012633,
activity:7099410,
activity:7457117,
activity:7463263,
activity:7529921,
activity:7533967,
activity:7535597,
activity:7539863
|
