|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3
|
|
chemicalCompound:standardIn... |
SKCUFZLDTAYNBZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(C)c2C(=O)Oc3c(C)c(O)c4C(=O)OC(O)c4c3Oc2c1C=O
|
|
chemicalCompound:molecularF... |
C19 H14 O9
|
|
chemicalCompound:moleculeId |
291227
|
|
chemicalCompound:mwFreebase |
386.309
|
|
chemicalCompound:alogp |
2.734
|
|
chemicalCompound:hba |
9
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
128.59
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.937
|
|
chemicalCompound:acdLogP |
4.034
|
|
chemicalCompound:acdLogD |
4.02
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
386.309
|
|
chemicalCompound:chemblId |
CHEMBL173530
|
|
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:activity |
activity:1018226,
activity:1018227,
activity:1018228,
activity:1018229,
activity:1018230,
activity:1018231,
activity:1018232,
activity:3659172,
activity:3660077,
activity:3673818,
activity:3694375,
activity:3695458,
activity:3721151,
activity:3777388,
activity:3796165,
activity:3930621,
activity:3932234,
activity:3940821,
activity:3949246,
activity:3966971,
activity:3971906,
activity:4001311,
activity:4004922,
activity:4005774,
activity:4026210,
activity:4040098,
activity:4041383,
activity:4180715,
activity:4315920,
activity:4350489,
activity:4373541,
activity:4506255,
activity:4506911,
activity:4512992,
activity:4552463,
activity:4577185,
activity:4578000,
activity:4622863,
activity:4756726,
activity:4800743,
activity:4840300,
activity:4848081,
activity:4852289,
activity:4977650,
activity:5026896,
activity:5030591,
activity:5042883,
activity:5386417,
activity:5574709,
activity:5574857,
activity:5816991,
activity:5960700,
activity:5985633,
activity:6431204,
activity:6431663,
activity:6434615,
activity:6452348,
activity:6514038,
activity:6770366,
activity:6838842,
activity:6917635,
activity:7004690,
activity:7018445,
activity:7052118,
activity:7059463,
activity:7108022
|
