|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+
|
|
chemicalCompound:standardIn... |
TUCIOBMMDDOEMM-RIYZIHGNSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(\C=C(/C#N)\C(=O)NCc2ccccc2)cc1O
|
|
chemicalCompound:molecularF... |
C17H14N2O3
|
|
chemicalCompound:moleculeId |
87221
|
|
chemicalCompound:mwFreebase |
294.305
|
|
chemicalCompound:alogp |
2.444
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
93.35
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
8.748
|
|
chemicalCompound:acdLogP |
2.234
|
|
chemicalCompound:acdLogD |
2.206
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
294.305
|
|
chemicalCompound:chemblId |
CHEMBL56543
|
|
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:291229,
activity:341378,
activity:341379,
activity:692410,
activity:692411,
activity:692412,
activity:692413,
activity:692414,
activity:958772,
activity:1144133,
activity:1144134,
activity:1144135,
activity:1144136,
activity:1144137,
activity:2129939,
activity:2129954,
activity:2137202,
activity:2197971,
activity:2202730,
activity:2458087,
activity:2458088,
activity:2458089,
activity:2613283,
activity:2613284,
activity:2613285,
activity:2613286,
activity:2613287,
activity:2613288,
activity:2709800,
activity:3473544,
activity:3485894,
activity:3485895,
activity:3485896,
activity:3485897,
activity:3485898,
activity:3485899,
activity:3485900,
activity:3617426,
activity:3631518,
activity:3633002,
activity:3634098,
activity:3671874,
activity:3688410,
activity:3695026,
activity:3698616,
activity:3707777,
activity:3709166,
activity:3763969,
activity:3782656,
activity:3812136,
activity:3852321,
activity:3874002,
activity:3883298,
activity:3883429,
activity:3897072,
activity:3926610,
activity:3933163,
activity:3937996,
activity:3961902,
activity:3987106,
activity:4009529,
activity:4015227,
activity:4023334,
activity:4061559,
activity:4062482,
activity:4084617
|
