|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
|
|
chemicalCompound:standardIn... |
BZORFPDSXLZWJF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1ccc(N)cc1
|
|
chemicalCompound:molecularF... |
C8 H12 N2
|
|
chemicalCompound:moleculeId |
47819
|
|
chemicalCompound:mwFreebase |
136.194
|
|
chemicalCompound:alogp |
1.245
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
29.26
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.071
|
|
chemicalCompound:acdLogD |
1.031
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
136.194
|
|
chemicalCompound:acdMostBpk... |
6.644
|
|
chemicalCompound:chemblId |
CHEMBL36296
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:495285,
activity:3607854,
activity:3658074,
activity:3698470,
activity:3773599,
activity:3774836,
activity:3777929,
activity:3778939,
activity:3894624,
activity:3902889,
activity:3904807,
activity:3919748,
activity:3932318,
activity:3950118,
activity:3951376,
activity:4057253,
activity:4078797,
activity:4106422,
activity:4116884,
activity:4170169,
activity:4291497,
activity:4371326,
activity:4408674,
activity:4466804,
activity:4548263,
activity:4587255,
activity:4674488,
activity:4717889,
activity:4723531,
activity:4749387,
activity:4783691,
activity:4870186,
activity:4872699,
activity:4876643,
activity:4896449,
activity:4901635,
activity:4902113,
activity:4976541,
activity:4984474,
activity:4991816,
activity:4993997,
activity:5019633,
activity:5022743,
activity:5062868,
activity:5069037,
activity:5078277,
activity:5867304,
activity:6739312,
activity:7008944,
activity:7048721
|
