|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
|
|
chemicalCompound:standardIn... |
ZONYXWQDUYMKFB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1CC(Oc2ccccc12)c3ccccc3
|
|
chemicalCompound:molecularF... |
C15H12O2
|
|
chemicalCompound:moleculeId |
6284
|
|
chemicalCompound:mwFreebase |
224.255
|
|
chemicalCompound:alogp |
3.099
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
26.3
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.317
|
|
chemicalCompound:acdLogD |
3.317
|
|
chemicalCompound:fullMwt |
224.255
|
|
chemicalCompound:chemblId |
CHEMBL274318
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:271716,
activity:962551,
activity:962552,
activity:962553,
activity:973366,
activity:973367,
activity:973368,
activity:1148399,
activity:1299432,
activity:1605669,
activity:1871468,
activity:1871488,
activity:1871520,
activity:1871531,
activity:1871550,
activity:1871562,
activity:1939476,
activity:1939538,
activity:1939590,
activity:2090998,
activity:2091003,
activity:2174853,
activity:2174871,
activity:2174889,
activity:2174907,
activity:2197081,
activity:2197110,
activity:2197139,
activity:2309632,
activity:2309645,
activity:2328641,
activity:2328786,
activity:2329933,
activity:2330003,
activity:2435386,
activity:2439052,
activity:2439086,
activity:2439120,
activity:2465213,
activity:2465214,
activity:2465215,
activity:2465216,
activity:2524914,
activity:2549235,
activity:2549249,
activity:2671037,
activity:2671065,
activity:2671070,
activity:2715012,
activity:2715022,
activity:2715046,
activity:2715428,
activity:3099669,
activity:3100804,
activity:3100864,
activity:3254886,
activity:3254970,
activity:3685409,
activity:3711277,
activity:4469207,
activity:6197409,
activity:6197454,
activity:6197581,
activity:6197626,
activity:6638883,
activity:8299312,
activity:8318674
|
