|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
|
|
chemicalCompound:standardIn... |
DUWPGRAKHMEPCM-IZZDOVSWSA-N
|
|
chemicalCompound:canonicalS... |
CC(=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O)C
|
|
chemicalCompound:molecularF... |
C20H20O4
|
|
chemicalCompound:moleculeId |
421553
|
|
chemicalCompound:mwFreebase |
324.37
|
|
chemicalCompound:alogp |
4.832
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
77.76
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
7.989
|
|
chemicalCompound:acdLogP |
4.268
|
|
chemicalCompound:acdLogD |
4.122
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
324.37
|
|
chemicalCompound:chemblId |
CHEMBL253467
|
|
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 |
ISOBAVACHALCONE
|
|
chemicalCompound:activity |
activity:2054103,
activity:2054106,
activity:2176249,
activity:2176262,
activity:2176279,
activity:2196022,
activity:2196046,
activity:2196070,
activity:2201684,
activity:2317008,
activity:2317009,
activity:2317010,
activity:2476231,
activity:2476263,
activity:2476294,
activity:2476326,
activity:2476357,
activity:2476389,
activity:2476420,
activity:2476452,
activity:2540987,
activity:2540988,
activity:2540989,
activity:2547550,
activity:2547566,
activity:2547580,
activity:2547595,
activity:2547610,
activity:2547625,
activity:2547641,
activity:2547644,
activity:2547645,
activity:2559954,
activity:2559980,
activity:2560006,
activity:2560032,
activity:2560058,
activity:2560084,
activity:2560109,
activity:2668364,
activity:2668410,
activity:3253454,
activity:3253457,
activity:3253461,
activity:3253462,
activity:3482264,
activity:3482265,
activity:3482266,
activity:3482267,
activity:3482268,
activity:3482269,
activity:3482270,
activity:3482271,
activity:3482272,
activity:3482273,
activity:3482274,
activity:3482275,
activity:3482276,
activity:3482277,
activity:3482278,
activity:3482279,
activity:3482280,
activity:3482281,
activity:3482282,
activity:3482283,
activity:3482284
|
