706089

Source:http://linkedlifedata.com/resource/chembl/compound/706089

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:72191
chemicalCompound:standardIn...	InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1
chemicalCompound:standardIn...	VVDXNJRUNJMYOZ-DHXVBOOMSA-N
chemicalCompound:canonicalS...	Cl.CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
chemicalCompound:molecularF...	C14H24ClN5O
chemicalCompound:moleculeId	706089
chemicalCompound:mwFreebase	277.365
chemicalCompound:alogp	2.328
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	89.85
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.613
chemicalCompound:acdLogD	2.612
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	313.826
chemicalCompound:acdMostBpk...	4.329
chemicalCompound:chemblId	CHEMBL1257094
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:806089
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:3649407, activity:3695181, activity:3988071, activity:4084718, activity:4745909, activity:4921886, activity:5855585, activity:5874980, activity:6647468, activity:6773790, activity:7454722, activity:7510336