|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
|
|
chemicalCompound:standardIn... |
PYZRQGJRPPTADH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl
|
|
chemicalCompound:molecularF... |
C9H7Cl2N5
|
|
chemicalCompound:moleculeId |
38727
|
|
chemicalCompound:mwFreebase |
256.091
|
|
chemicalCompound:alogp |
2.426
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
90.71
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.244
|
|
chemicalCompound:acdLogD |
1.24
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
256.091
|
|
chemicalCompound:acdMostBpk... |
5.388
|
|
chemicalCompound:chemblId |
CHEMBL741
|
|
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... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
LAMOTRIGINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1990
|
|
chemicalCompound:activity |
activity:36200,
activity:353221,
activity:353222,
activity:353223,
activity:417222,
activity:417223,
activity:417224,
activity:417225,
activity:417226,
activity:417227,
activity:666046,
activity:666047,
activity:666048,
activity:666049,
activity:666050,
activity:868056,
activity:879769,
activity:879770,
activity:879771,
activity:899022,
activity:899023,
activity:899024,
activity:899025,
activity:975794,
activity:987770,
activity:987771,
activity:987772,
activity:987773,
activity:987774,
activity:987775,
activity:987776,
activity:1056401,
activity:1134635,
activity:1134636,
activity:1134637,
activity:1134638,
activity:1134639,
activity:1134640,
activity:1465256,
activity:1465257,
activity:1465258,
activity:1465259,
activity:1465260,
activity:1863156,
activity:1863166,
activity:1863183,
activity:1863193,
activity:1863196,
activity:1863256,
activity:1863265,
activity:1863278,
activity:1863289,
activity:1863300,
activity:1863468,
activity:1863489
|
