1306769

Source:http://linkedlifedata.com/resource/chembl/compound/1306769

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H18O3/c1-11(16)15-8-14(18-12(15)2)10-17-9-13-6-4-3-5-7-13/h3-7,10,12,15H,8-9H2,1-2H3/b14-10+/t12-,15-/m0/s1
chemicalCompound:standardIn...	HPAYDONQDAQPIU-MCGVVMAKSA-N
chemicalCompound:canonicalS...	C[C@@H]1O\C(=C\OCc2ccccc2)\C[C@H]1C(=O)C
chemicalCompound:molecularF...	C15H18O3
chemicalCompound:moleculeId	1306769
chemicalCompound:mwFreebase	246.302
chemicalCompound:alogp	1.702
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	35.53
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.9
chemicalCompound:acdLogD	1.9
chemicalCompound:fullMwt	246.302
chemicalCompound:chemblId	CHEMBL1985478
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1406769
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:8262895, activity:8316785, activity:8332087, activity:8375981, activity:8413181, activity:8442244, activity:8522019, activity:8541966, activity:8612181, activity:8618579, activity:8703654, activity:8788242, activity:8789944, activity:8816076, activity:8822475, activity:8869994, activity:8920982, activity:8960377, activity:8988592, activity:9034376, activity:9114624, activity:9169158, activity:9201674, activity:9234531, activity:9303132, activity:9310811, activity:9384022, activity:9456404, activity:9467619, activity:9554753, activity:9729170, activity:9812835, activity:9838760, activity:9876025, activity:9910370, activity:9938737, activity:10097956, activity:10119188, activity:10187947, activity:10234568, activity:10269664, activity:10306793, activity:10385544, activity:10455096, activity:10511212, activity:10615388, activity:10638799, activity:10722001, activity:10742137, activity:10810257