|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
|
|
chemicalCompound:standardIn... |
FFBDFADSZUINTG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCN1C(=O)N(CCC)c2nc([nH]c2C1=O)C3CCCC3
|
|
chemicalCompound:molecularF... |
C16H24N4O2
|
|
chemicalCompound:moleculeId |
365442
|
|
chemicalCompound:mwFreebase |
304.387
|
|
chemicalCompound:alogp |
3.37
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
69.3
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.037
|
|
chemicalCompound:acdLogP |
3.592
|
|
chemicalCompound:acdLogD |
3.582
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
304.387
|
|
chemicalCompound:acdMostBpk... |
2.497
|
|
chemicalCompound:chemblId |
CHEMBL183
|
|
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:activity |
activity:148065,
activity:148066,
activity:148067,
activity:148068,
activity:148069,
activity:148070,
activity:148071,
activity:148072,
activity:148073,
activity:148074,
activity:148075,
activity:148076,
activity:148077,
activity:148078,
activity:148079,
activity:148080,
activity:148081,
activity:148082,
activity:148083,
activity:148084,
activity:148085,
activity:148086,
activity:148087,
activity:148088,
activity:148089,
activity:148090,
activity:148091,
activity:148092,
activity:148093,
activity:148094,
activity:148095,
activity:148096,
activity:148097,
activity:148098,
activity:148099,
activity:148100,
activity:148219,
activity:183803,
activity:220708,
activity:279614,
activity:279615,
activity:279616,
activity:279617,
activity:295446,
activity:295447,
activity:295448,
activity:313271,
activity:313272,
activity:313273,
activity:313274,
activity:313275,
activity:313276,
activity:323410,
activity:323411,
activity:323412,
activity:323413,
activity:323414,
activity:323415,
activity:323416,
activity:323417,
activity:323418,
activity:328318,
activity:328319,
activity:328320,
activity:328321
|
