743527

Source:http://linkedlifedata.com/resource/chembl/compound/743527

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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/C15H17FN4O2S/c1-2-22-15(21)14-13(18-19-20-5-7-23-8-6-20)11-9-10(16)3-4-12(11)17-14/h3-4,9,17H,2,5-8H2,1H3
chemicalCompound:standardIn...	HBMNUHXPDAGUEP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1[nH]c2ccc(F)cc2c1N=NN3CCSCC3
chemicalCompound:molecularF...	C15H17FN4O2S
chemicalCompound:moleculeId	743527
chemicalCompound:mwFreebase	336.384
chemicalCompound:alogp	3.64
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	95.35
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.893
chemicalCompound:acdLogP	4.001
chemicalCompound:acdLogD	4.001
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.384
chemicalCompound:chemblId	CHEMBL1319643
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:843527
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:3623159, activity:3632082, activity:3766524, activity:3875321, activity:3982510, activity:4013092, activity:4071648, activity:4119436, activity:4127492, activity:4209439, activity:4302591, activity:4337074, activity:4404533, activity:4431181, activity:4562676, activity:4682293, activity:4765758, activity:4925509, activity:4990575, activity:5404882, activity:5413478, activity:5442827, activity:5532675, activity:5855257, activity:5881776, activity:5904414, activity:5961397, activity:5983922, activity:6426916, activity:6564419, activity:6753419, activity:6888371, activity:7028333, activity:7071873, activity:7170656, activity:7231532, activity:7312914, activity:7315507, activity:7360056, activity:7523780