|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
|
|
chemicalCompound:standardIn... |
MQGPSCMMNJKMHQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2C(=O)C=C(Oc2c1)c3ccccc3
|
|
chemicalCompound:molecularF... |
C15H10O3
|
|
chemicalCompound:moleculeId |
17982
|
|
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... |
7.016
|
|
chemicalCompound:acdLogP |
3.455
|
|
chemicalCompound:acdLogD |
2.922
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
238.238
|
|
chemicalCompound:chemblId |
CHEMBL276915
|
|
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:53528,
activity:53529,
activity:53530,
activity:687568,
activity:688671,
activity:688672,
activity:783775,
activity:783776,
activity:974515,
activity:974516,
activity:974517,
activity:1046158,
activity:1046159,
activity:1046160,
activity:1239186,
activity:1259390,
activity:1605552,
activity:1719229,
activity:1719270,
activity:1719271,
activity:1719272,
activity:1719348,
activity:1760859,
activity:1760871,
activity:1888536,
activity:1888587,
activity:1888610,
activity:1888611,
activity:1888666,
activity:1888667,
activity:1888668,
activity:2046477,
activity:2046526,
activity:2046615,
activity:2054449,
activity:2057568,
activity:2174352,
activity:2174856,
activity:2174874,
activity:2174892,
activity:2174910,
activity:2202690,
activity:2252366,
activity:2309629,
activity:2309642,
activity:2328653,
activity:2328704,
activity:2328825,
activity:2331840,
activity:2332874,
activity:2332901,
activity:2443319,
activity:2443327,
activity:2465227,
activity:2465256,
activity:2465278,
activity:2465284,
activity:2549238,
activity:2549252,
activity:2714970,
activity:2715033,
activity:2715057,
activity:3129895,
activity:3290722,
activity:3334206,
activity:3334213
|
