|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
|
|
chemicalCompound:standardIn... |
RHMXXJGYXNZAPX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
|
|
chemicalCompound:molecularF... |
C15H10O5
|
|
chemicalCompound:moleculeId |
61174
|
|
chemicalCompound:mwFreebase |
270.237
|
|
chemicalCompound:alogp |
2.568
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
94.83
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.389
|
|
chemicalCompound:acdLogP |
3.641
|
|
chemicalCompound:acdLogD |
1.614
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
270.237
|
|
chemicalCompound:chemblId |
CHEMBL289277
|
|
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 |
EMODIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:59294,
activity:597529,
activity:916062,
activity:916063,
activity:931474,
activity:931475,
activity:931476,
activity:931477,
activity:931478,
activity:943002,
activity:943003,
activity:958748,
activity:958749,
activity:1044708,
activity:1044709,
activity:1044710,
activity:1044711,
activity:1044712,
activity:1044713,
activity:1044714,
activity:1404403,
activity:1676814,
activity:1676821,
activity:1676825,
activity:1676829,
activity:1676833,
activity:1676847,
activity:1868305,
activity:1868323,
activity:1868328,
activity:1868329,
activity:1868330,
activity:1868331,
activity:1868350,
activity:1868355,
activity:1868356,
activity:1932969,
activity:1932985,
activity:1932986,
activity:1932987,
activity:2152584,
activity:2152585,
activity:2152586,
activity:2152587,
activity:2152588,
activity:2152589,
activity:2152590,
activity:2177219,
activity:2177236,
activity:2177253,
activity:2181337,
activity:2181346,
activity:2181355,
activity:2181363,
activity:2181373,
activity:2181381,
activity:2182921,
activity:2182922,
activity:2182923,
activity:2182924,
activity:2182925,
activity:2182926,
activity:2182927,
activity:2182928
|
