|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
|
|
chemicalCompound:standardIn... |
HPNSFSBZBAHARI-RUDMXATFSA-N
|
|
chemicalCompound:canonicalS... |
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O
|
|
chemicalCompound:molecularF... |
C17H20O6
|
|
chemicalCompound:moleculeId |
68396
|
|
chemicalCompound:mwFreebase |
320.337
|
|
chemicalCompound:alogp |
3.157
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
93.06
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.712
|
|
chemicalCompound:acdLogP |
3.838
|
|
chemicalCompound:acdLogD |
1.169
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
320.337
|
|
chemicalCompound:chemblId |
CHEMBL866
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
MYCOPHENOLIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2004
|
|
chemicalCompound:activity |
activity:39949,
activity:39950,
activity:39951,
activity:92923,
activity:92924,
activity:92925,
activity:104732,
activity:104733,
activity:119352,
activity:229371,
activity:247760,
activity:247761,
activity:247762,
activity:490697,
activity:490698,
activity:490699,
activity:490700,
activity:542727,
activity:542728,
activity:751419,
activity:751420,
activity:806823,
activity:829301,
activity:842247,
activity:842248,
activity:842249,
activity:842250,
activity:842251,
activity:842252,
activity:842253,
activity:928727,
activity:928728,
activity:928729,
activity:928730,
activity:928731,
activity:928732,
activity:928733,
activity:928734,
activity:928735,
activity:928736,
activity:928737,
activity:928738,
activity:975090,
activity:975091,
activity:1090054,
activity:1090055,
activity:1102421,
activity:1102422,
activity:1102423,
activity:1102424,
activity:1102425,
activity:1102426,
activity:1102427,
activity:1102428,
activity:1102429,
activity:1299700,
activity:1692355,
activity:1692455
|
