|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
|
|
chemicalCompound:standardIn... |
NQRYJNQNLNOLGT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C1CCNCC1
|
|
chemicalCompound:molecularF... |
C5H11N
|
|
chemicalCompound:moleculeId |
16444
|
|
chemicalCompound:mwFreebase |
85.1475
|
|
chemicalCompound:alogp |
0.701
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
12.03
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.612
|
|
chemicalCompound:acdLogD |
-2.161
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
85.1475
|
|
chemicalCompound:acdMostBpk... |
10.45
|
|
chemicalCompound:chemblId |
CHEMBL15487
|
|
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 |
PIPERIDINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:222321,
activity:667941,
activity:1199504,
activity:1199505,
activity:1199506,
activity:1199507,
activity:1199508,
activity:1199509,
activity:2572878,
activity:7928321,
activity:7928371
|
