|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
|
|
chemicalCompound:standardIn... |
QZPQTZZNNJUOLS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC1(C)CCC2=C(O1)c3ccccc3C(=O)C2=O
|
|
chemicalCompound:molecularF... |
C15H14O3
|
|
chemicalCompound:moleculeId |
15738
|
|
chemicalCompound:mwFreebase |
242.27
|
|
chemicalCompound:alogp |
2.509
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.37
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.795
|
|
chemicalCompound:acdLogD |
2.795
|
|
chemicalCompound:fullMwt |
242.27
|
|
chemicalCompound:chemblId |
CHEMBL15192
|
|
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:33347,
activity:667905,
activity:667906,
activity:667907,
activity:667908,
activity:667909,
activity:667910,
activity:667911,
activity:667912,
activity:667913,
activity:667914,
activity:667915,
activity:799361,
activity:799362,
activity:799363,
activity:1071807,
activity:1071808,
activity:1071809,
activity:1071810,
activity:1071811,
activity:1071812,
activity:1071813,
activity:1071814,
activity:1071815,
activity:1071816,
activity:1814377,
activity:1814427,
activity:1987615,
activity:1987624,
activity:1987633,
activity:1987642,
activity:1987651,
activity:1987660,
activity:1987669,
activity:1987684,
activity:2000692,
activity:2000696,
activity:2000699,
activity:2000703,
activity:2000707,
activity:2000713,
activity:2000721,
activity:2000724,
activity:2000728,
activity:2134418,
activity:2134419,
activity:2134433,
activity:2134434,
activity:2134448,
activity:2134449,
activity:2134452,
activity:2134453,
activity:2149511,
activity:2149512,
activity:2149513,
activity:2149514,
activity:2149515,
activity:2149516,
activity:2149517,
activity:2149518,
activity:2149519,
activity:2149520,
activity:2149521,
activity:2149522,
activity:2149523,
activity:2149524,
activity:2149525,
activity:2149526,
activity:2149527
|
