550757

Source:http://linkedlifedata.com/resource/chembl/compound/550757

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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:530
chemicalCompound:standardIn...	InChI=1S/C16H21N5O3.ClH/c1-23-12-7-10-11(8-13(12)24-2)19-16(20-14(10)17)21-5-3-9(4-6-21)15(18)22;/h7-9H,3-6H2,1-2H3,(H2,18,22)(H2,17,19,20);1H
chemicalCompound:standardIn...	MYPWLRMBIOBPLJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)N
chemicalCompound:molecularF...	C16H22ClN5O3
chemicalCompound:moleculeId	550757
chemicalCompound:mwFreebase	331.37
chemicalCompound:alogp	0.685
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	116.59
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.989
chemicalCompound:acdLogD	-1.414
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	367.831
chemicalCompound:acdMostBpk...	10.508
chemicalCompound:chemblId	CHEMBL540516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650757
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:1034529, activity:1034530