|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3
|
|
chemicalCompound:standardIn... |
YUUAYBAIHCDHHD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)CCC(=O)CN
|
|
chemicalCompound:molecularF... |
C6H11NO3
|
|
chemicalCompound:moleculeId |
624125
|
|
chemicalCompound:mwFreebase |
145.156
|
|
chemicalCompound:alogp |
-0.995
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
69.39
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.704
|
|
chemicalCompound:acdLogD |
-0.898
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
145.156
|
|
chemicalCompound:acdMostBpk... |
7.153
|
|
chemicalCompound:chemblId |
CHEMBL1096562
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
METHYL AMINOLEVULINATE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2004
|
|
chemicalCompound:activity |
activity:3266967,
activity:3495531,
activity:3495532,
activity:3495533,
activity:3495534,
activity:3495535,
activity:3495542,
activity:3495543,
activity:3495544,
activity:3495545,
activity:3495546,
activity:3495556,
activity:3495564,
activity:3495565,
activity:3495566,
activity:6589614,
activity:7835117,
activity:7835118,
activity:7835119,
activity:7835120,
activity:7835121,
activity:7835122,
activity:7835123,
activity:7835124,
activity:7835125,
activity:7835126,
activity:7835127,
activity:7835128,
activity:7835129,
activity:7835130
|
