|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
|
|
chemicalCompound:standardIn... |
IYBLVRRCNVHZQJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc2OC(=CC(=O)c12)c3ccccc3
|
|
chemicalCompound:molecularF... |
C15H10O3
|
|
chemicalCompound:moleculeId |
18033
|
|
chemicalCompound:mwFreebase |
238.238
|
|
chemicalCompound:alogp |
2.894
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.53
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.76
|
|
chemicalCompound:acdLogP |
3.583
|
|
chemicalCompound:acdLogD |
2.855
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
238.238
|
|
chemicalCompound:chemblId |
CHEMBL16807
|
|
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:71425,
activity:674219,
activity:677845,
activity:677846,
activity:972180,
activity:972181,
activity:972182,
activity:985718,
activity:1041040,
activity:1041041,
activity:1041042,
activity:1263112,
activity:1719175,
activity:1719216,
activity:1719255,
activity:1719258,
activity:1719377,
activity:1888588,
activity:1888607,
activity:1888608,
activity:1888609,
activity:1888663,
activity:1888664,
activity:1888665,
activity:2174855,
activity:2174873,
activity:2174891,
activity:2174909,
activity:2328535,
activity:2328654,
activity:2328706,
activity:2328792,
activity:2423117,
activity:2443320,
activity:2443328,
activity:2714976,
activity:2715016,
activity:2715039,
activity:2715063,
activity:3129897,
activity:3207297,
activity:3207302,
activity:3207309,
activity:3471167,
activity:3780487,
activity:3881445,
activity:4171249,
activity:4465898,
activity:4527529,
activity:4568299,
activity:4981476,
activity:4989963,
activity:5046690,
activity:5058924,
activity:5073026,
activity:5346056,
activity:6277301,
activity:6389876,
activity:6843917,
activity:6935672
|
