1306429

Source:http://linkedlifedata.com/resource/chembl/compound/1306429

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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/C21H27NO/c1-11(2)8-15-9-13(4)16-7-6-12(3)17-19(16)18(15)14(5)20-21(17)23-10-22-20/h8,10,12-13,15-16H,6-7,9H2,1-5H3/t12-,13-,15-,16+/m0/s1
chemicalCompound:standardIn...	HTRVXIUUWGLCAT-DARAHFNDSA-N
chemicalCompound:canonicalS...	C[C@H]1C[C@H](C=C(C)C)c2c(C)c3ncoc3c4[C@@H](C)CC[C@H]1c24
chemicalCompound:molecularF...	C21H27NO
chemicalCompound:moleculeId	1306429
chemicalCompound:mwFreebase	309.445
chemicalCompound:alogp	5.847
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	26.03
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.486
chemicalCompound:acdLogD	5.486
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	309.445
chemicalCompound:acdMostBpk...	3.916
chemicalCompound:chemblId	CHEMBL1985138
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1406429
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:8238765, activity:8262855, activity:8316747, activity:8375947, activity:8413144, activity:8442219, activity:8457455, activity:8521983, activity:8541930, activity:8612142, activity:8618543, activity:8699477, activity:8785723, activity:8788204, activity:8816052, activity:8869956, activity:8920943, activity:8960339, activity:8984388, activity:9030114, activity:9114586, activity:9121241, activity:9169126, activity:9201634, activity:9234492, activity:9303094, activity:9310772, activity:9383984, activity:9456366, activity:9467580, activity:9554733, activity:9640885, activity:9723209, activity:9729131, activity:9812801, activity:9875986, activity:9904999, activity:9910333, activity:9938698, activity:9989351, activity:10000616, activity:10119153, activity:10187923, activity:10192524, activity:10234531, activity:10269625, activity:10306768, activity:10381397, activity:10436238, activity:10455058, activity:10511173, activity:10539832, activity:10638765, activity:10721964, activity:10742102, activity:10810219