21748

Source:http://linkedlifedata.com/resource/chembl/compound/21748

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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/C14H21N5O/c1-8(2)7-19-12-10(16-11(17-12)9(3)4)13(20)18-6-5-15-14(18)19/h8-9H,5-7H2,1-4H3,(H,16,17)
chemicalCompound:standardIn...	VHKZMVKPFHGEPL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CN1C2=NCCN2C(=O)c3[nH]c(nc13)C(C)C
chemicalCompound:molecularF...	C14 H21 N5 O
chemicalCompound:moleculeId	21748
chemicalCompound:mwFreebase	275.349
chemicalCompound:alogp	2.355
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	64.59
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.985
chemicalCompound:acdLogP	1.678
chemicalCompound:acdLogD	1.678
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	275.349
chemicalCompound:acdMostBpk...	3.346
chemicalCompound:chemblId	CHEMBL18844
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121748
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:39228, activity:39229, activity:39230