|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
|
|
chemicalCompound:standardIn... |
CLPFFLWZZBQMAO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
N#Cc1ccc(cc1)C2CCCc3cncn23
|
|
chemicalCompound:molecularF... |
C14H13N3
|
|
chemicalCompound:moleculeId |
4920
|
|
chemicalCompound:mwFreebase |
223.273
|
|
chemicalCompound:alogp |
2.271
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
41.61
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.484
|
|
chemicalCompound:acdLogD |
1.288
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
223.273
|
|
chemicalCompound:acdMostBpk... |
7.159
|
|
chemicalCompound:chemblId |
CHEMBL9298
|
|
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 |
FADROZOLE
|
|
chemicalCompound:activity |
activity:629931,
activity:825633,
activity:825634,
activity:825635,
activity:1074554,
activity:1096821,
activity:1096822,
activity:1096823,
activity:1102824,
activity:1115318,
activity:1115319,
activity:1401744,
activity:1401745,
activity:1401746,
activity:1401747,
activity:1401748,
activity:1401749,
activity:1407336,
activity:1407337,
activity:1407338,
activity:1407339,
activity:1407340,
activity:1407341,
activity:1601964,
activity:1601965,
activity:1601966,
activity:1601967,
activity:1601968,
activity:1601969,
activity:1699276,
activity:1699294,
activity:1699312,
activity:1699337,
activity:1699348,
activity:1699366,
activity:1742012,
activity:1845803,
activity:1845815,
activity:1909555,
activity:1909563,
activity:2224795,
activity:2224811,
activity:2224827,
activity:2224843,
activity:2224910,
activity:2224911,
activity:2224912,
activity:2224913,
activity:2224927,
activity:2361339,
activity:2361364,
activity:2361388,
activity:2361458,
activity:2482536,
activity:2596817,
activity:2596825,
activity:2596833,
activity:2596838,
activity:2596843,
activity:2596863,
activity:2596864,
activity:2596865
|
