739609

Source:http://linkedlifedata.com/resource/chembl/compound/739609

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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/C16H17N3O5/c1-6-13(20)12-9(14(21)15(6)23-3)7(5-24-16(17)22)10-11-8(18(11)2)4-19(10)12/h8,11H,4-5H2,1-3H3,(H2,17,22)/t8-,11+,18?/m1/s1
chemicalCompound:standardIn...	FSJQMPDKDHPEJH-HNOLNTJHSA-N
chemicalCompound:canonicalS...	COC1=C(C)C(=O)c2c(C1=O)c(COC(=O)N)c3[C@@H]4[C@@H](Cn23)N4C
chemicalCompound:molecularF...	C16H17N3O5
chemicalCompound:moleculeId	739609
chemicalCompound:mwFreebase	331.323
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	103.63
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.15
chemicalCompound:acdLogP	0.213
chemicalCompound:acdLogD	0.212
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	331.323
chemicalCompound:acdMostBpk...	4.574
chemicalCompound:chemblId	CHEMBL1315725
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:839609
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:3772560, activity:3775368, activity:3886456, activity:4016511, activity:4129042, activity:4520864, activity:4635146, activity:4711937, activity:4822939, activity:4842504, activity:4898056, activity:4949890, activity:5988578, activity:5989820, activity:6014759, activity:6060876, activity:6068418, activity:6771085, activity:6800845, activity:7032990, activity:7052492, activity:7268663