|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
|
|
chemicalCompound:standardIn... |
ATHGHQPFGPMSJY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCCCCNCCCN
|
|
chemicalCompound:molecularF... |
C7H19N3
|
|
chemicalCompound:moleculeId |
23634
|
|
chemicalCompound:mwFreebase |
145.246
|
|
chemicalCompound:alogp |
-1.169
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
64.06
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.504
|
|
chemicalCompound:acdLogD |
-5.355
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
145.246
|
|
chemicalCompound:acdMostBpk... |
10.528
|
|
chemicalCompound:chemblId |
CHEMBL19612
|
|
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 |
SPERMIDINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:91189,
activity:91190,
activity:91191,
activity:204704,
activity:204705,
activity:262981,
activity:533695,
activity:533696,
activity:711135,
activity:781390,
activity:896406,
activity:909997,
activity:954927,
activity:954928,
activity:954929,
activity:954930,
activity:954931,
activity:954932,
activity:1043991,
activity:1043992,
activity:1043993,
activity:1043994,
activity:1043995,
activity:1043996,
activity:1043997,
activity:1043998,
activity:1043999,
activity:1044000,
activity:1044001,
activity:1044002,
activity:1044003,
activity:1044004,
activity:1044005,
activity:1044006,
activity:1044007,
activity:1044008,
activity:1044009,
activity:1044010,
activity:1044011,
activity:1044012,
activity:1044013,
activity:1044014,
activity:1044015,
activity:1044016,
activity:1044017,
activity:1044018,
activity:1044019,
activity:1044020,
activity:1044021,
activity:1044022,
activity:1044023,
activity:1044024,
activity:1044025,
activity:1044026,
activity:1044027,
activity:1044028,
activity:1044029,
activity:1044030,
activity:1044031,
activity:1044032,
activity:1044033,
activity:1044034,
activity:1044035,
activity:1044036,
activity:1051960
|
