42562

Source:http://linkedlifedata.com/resource/chembl/compound/42562

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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/C17H24N4O/c1-2-3-4-5-9-22-15-8-6-7-13(11-15)10-14-12-20-17(19)21-16(14)18/h6-8,11-12H,2-5,9-10H2,1H3,(H4,18,19,20,21)
chemicalCompound:standardIn...	FBTWFHMLKCKSPR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
chemicalCompound:molecularF...	C17 H24 N4 O
chemicalCompound:moleculeId	42562
chemicalCompound:mwFreebase	300.399
chemicalCompound:alogp	3.817
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	87.05
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.093
chemicalCompound:acdLogD	3.937
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	300.399
chemicalCompound:acdMostBpk...	7.028
chemicalCompound:chemblId	CHEMBL31547
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142562
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:58937, activity:58938, activity:236077, activity:236078, activity:236079, activity:236080, activity:236081, activity:236082, activity:236083, activity:236084, activity:236085, activity:236086, activity:236087, activity:236088, activity:236089, activity:364471, activity:416195, activity:416196, activity:496280, activity:661314, activity:665079, activity:746134, activity:746135, activity:900691, activity:996854, activity:996855, activity:996856, activity:996857, activity:1008960, activity:1008961, activity:1078421, activity:1078422, activity:1171809