|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
|
|
chemicalCompound:standardIn... |
OUGIDAPQYNCXRA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1C=C(Oc2ccc3ccccc3c12)c4ccccc4
|
|
chemicalCompound:molecularF... |
C19H12O2
|
|
chemicalCompound:moleculeId |
37986
|
|
chemicalCompound:mwFreebase |
272.297
|
|
chemicalCompound:alogp |
4.044
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
26.3
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.003
|
|
chemicalCompound:acdLogD |
5.003
|
|
chemicalCompound:fullMwt |
272.297
|
|
chemicalCompound:chemblId |
CHEMBL26260
|
|
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 |
BETA-NAPHTHOFLAVONE
|
|
chemicalCompound:activity |
activity:190269,
activity:190270,
activity:190271,
activity:190272,
activity:190273,
activity:190274,
activity:190275,
activity:190276,
activity:190277,
activity:190278,
activity:190279,
activity:190280,
activity:190281,
activity:190282,
activity:190283,
activity:190284,
activity:655345,
activity:655346,
activity:680180,
activity:680181,
activity:1031416,
activity:1031417,
activity:1031418,
activity:1165271,
activity:1241579,
activity:1241580,
activity:1241581,
activity:1241582,
activity:1829787,
activity:1933233,
activity:1933424,
activity:2409927,
activity:2410849,
activity:2411042,
activity:2411056,
activity:2434400,
activity:2555651,
activity:3112339,
activity:3112349,
activity:3112356,
activity:3112363,
activity:3350458,
activity:3350509,
activity:3350540,
activity:3350634,
activity:6074660,
activity:6212836,
activity:6213739,
activity:6213746,
activity:6389878,
activity:7359208,
activity:7362807,
activity:7564538,
activity:7564539,
activity:7564540,
activity:7610783,
activity:7610784,
activity:7610785,
activity:7610786,
activity:7610787,
activity:7610788,
activity:7610789,
activity:7610790,
activity:7610791,
activity:7610792,
activity:7610793,
activity:7610794,
activity:7610795
|
