|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
|
|
chemicalCompound:standardIn... |
BDJRBEYXGGNYIS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)CCCCCCCC(=O)O
|
|
chemicalCompound:molecularF... |
C9H16O4
|
|
chemicalCompound:moleculeId |
230691
|
|
chemicalCompound:mwFreebase |
188.221
|
|
chemicalCompound:alogp |
1.921
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
74.59
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
4.471
|
|
chemicalCompound:acdLogP |
1.196
|
|
chemicalCompound:acdLogD |
-3.421
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
188.221
|
|
chemicalCompound:chemblId |
CHEMBL1238
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 |
AZELAIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1989
|
|
chemicalCompound:activity |
activity:380201,
activity:380202,
activity:380203,
activity:3473224,
activity:3652019,
activity:3662458,
activity:3675718,
activity:3924769,
activity:4344532,
activity:4358809,
activity:4378408,
activity:4496244,
activity:4588900,
activity:4619556,
activity:4864256,
activity:5326400,
activity:5326401,
activity:5326402,
activity:5326403,
activity:5326404,
activity:5326405,
activity:5326406,
activity:5326407,
activity:5326408,
activity:5326409,
activity:5326410,
activity:5326411,
activity:5326412,
activity:5326413,
activity:5326414,
activity:5326415,
activity:5326416,
activity:5326417,
activity:5652680,
activity:5724375,
activity:5775083,
activity:5801109,
activity:5844711,
activity:5989710,
activity:6002775,
activity:6013789,
activity:6014677,
activity:6017114,
activity:7318140,
activity:7451575,
activity:7456169,
activity:7835159,
activity:7835160,
activity:7835161,
activity:7835162,
activity:7835163,
activity:7835164,
activity:7835165,
activity:7835166,
activity:7835167,
activity:7835168,
activity:7835169,
activity:7835170
|
