rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
|
chemicalCompound:standardIn... |
COLNVLDHVKWLRT-MRVPVSSYSA-N
|
chemicalCompound:canonicalS... |
N[C@H](Cc1ccccc1)C(=O)O
|
chemicalCompound:molecularF... |
C9H11NO2
|
chemicalCompound:moleculeId |
353820
|
chemicalCompound:mwFreebase |
165.189
|
chemicalCompound:alogp |
-1.605
|
chemicalCompound:hba |
3
|
chemicalCompound:hbd |
2
|
chemicalCompound:psa |
63.32
|
chemicalCompound:rtb |
3
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdMostApk... |
2.21
|
chemicalCompound:acdLogP |
0.235
|
chemicalCompound:acdLogD |
-2.271
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
165.189
|
chemicalCompound:acdMostBpk... |
9.2
|
chemicalCompound:chemblId |
CHEMBL379630
|
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 |
D-PHENYLALANINE
|
chemicalCompound:chebiParen... |
|
chemicalCompound:activity |
activity:1759495,
activity:1759498,
activity:1759499,
activity:1902647,
activity:1902664,
activity:1902681,
activity:1902698,
activity:1902705,
activity:1902706,
activity:1902707,
activity:1902708,
activity:1965779,
activity:2017306,
activity:2017322,
activity:2032250,
activity:2032266,
activity:2032282,
activity:2032288,
activity:2032289,
activity:2032290,
activity:2143066,
activity:2143067,
activity:2143068,
activity:2143069,
activity:2143088,
activity:2143105,
activity:2143122,
activity:2143139,
activity:2271827,
activity:2271828,
activity:2271829,
activity:2403731,
activity:2403735,
activity:2403757,
activity:2403763,
activity:2403770,
activity:2403772,
activity:2566133,
activity:2566134,
activity:2566135,
activity:2566136,
activity:2593043,
activity:2593060,
activity:2593078,
activity:2593096,
activity:2593114,
activity:2593132,
activity:2630967,
activity:2630985,
activity:2917940,
activity:2917941,
activity:2917942,
activity:2917943,
activity:2917944,
activity:2917955,
activity:2917960,
activity:3094089,
activity:3094090,
activity:3127548,
activity:3127549,
activity:3127550,
activity:3127551,
activity:3212639,
activity:3212658,
activity:3212677,
activity:3212696,
activity:4848329,
activity:6870222
|