|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
|
|
chemicalCompound:standardIn... |
HVXBOLULGPECHP-WAYWQWQTSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
|
|
chemicalCompound:molecularF... |
C18H20O5
|
|
chemicalCompound:moleculeId |
5295
|
|
chemicalCompound:mwFreebase |
316.348
|
|
chemicalCompound:alogp |
3.508
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
57.15
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.648
|
|
chemicalCompound:acdLogP |
2.925
|
|
chemicalCompound:acdLogD |
2.922
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
316.348
|
|
chemicalCompound:chemblId |
CHEMBL67
|
|
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 |
COMBRETASTATIN A4
|
|
chemicalCompound:activity |
activity:41283,
activity:41284,
activity:41285,
activity:41286,
activity:41287,
activity:41288,
activity:41289,
activity:114758,
activity:114759,
activity:114760,
activity:143285,
activity:143286,
activity:143287,
activity:143288,
activity:143289,
activity:143290,
activity:143291,
activity:143292,
activity:143293,
activity:143294,
activity:143295,
activity:143296,
activity:311523,
activity:311524,
activity:311525,
activity:311526,
activity:311527,
activity:311528,
activity:311529,
activity:311530,
activity:311531,
activity:331777,
activity:331778,
activity:345093,
activity:351630,
activity:351631,
activity:351632,
activity:415272,
activity:415273,
activity:415274,
activity:415275,
activity:415276,
activity:466153,
activity:466154,
activity:466155,
activity:492629,
activity:492630,
activity:492631,
activity:526568,
activity:526569,
activity:526570,
activity:526571,
activity:534978,
activity:534979,
activity:534980,
activity:534981,
activity:534982,
activity:534983,
activity:534984,
activity:534985,
activity:543699,
activity:543700,
activity:547296,
activity:547297
|
