rdf:type |
|
chemicalCompound:synonym |
|
chemicalCompound:standardIn... |
InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
|
chemicalCompound:standardIn... |
RMMXTBMQSGEXHJ-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2
|
chemicalCompound:molecularF... |
C13H17N3O
|
chemicalCompound:moleculeId |
60246
|
chemicalCompound:mwFreebase |
231.294
|
chemicalCompound:alogp |
0.989
|
chemicalCompound:hba |
3
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
26.79
|
chemicalCompound:rtb |
2
|
chemicalCompound:ro3Pass |
Y
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
N
|
chemicalCompound:acdLogP |
0.854
|
chemicalCompound:acdLogD |
0.854
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
231.294
|
chemicalCompound:acdMostBpk... |
4.501
|
chemicalCompound:chemblId |
CHEMBL288470
|
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 |
AMINOPYRINE
|
chemicalCompound:chebiParen... |
|
chemicalCompound:activity |
activity:62576,
activity:62577,
activity:94236,
activity:121584,
activity:620135,
activity:620136,
activity:620137,
activity:907309,
activity:1506318,
activity:1879180,
activity:1879310,
activity:1879311,
activity:1879426,
activity:1879515,
activity:1879521,
activity:1879527,
activity:1879532,
activity:1879533,
activity:1879546,
activity:2058686,
activity:3069154,
activity:3342212,
activity:3664607,
activity:3913819,
activity:4015163,
activity:4465922,
activity:4499265,
activity:4739097,
activity:4865079,
activity:5170337,
activity:5317086,
activity:5318037,
activity:5318988,
activity:5996838,
activity:6004478,
activity:6033142,
activity:6059581,
activity:6070617,
activity:6174327,
activity:6534757,
activity:6614035,
activity:6801745
|