1051375

Source:http://linkedlifedata.com/resource/chembl/compound/1051375

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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/C20H23N7O/c1-14-15-5-2-3-7-17(15)27(19-16(24-14)6-4-8-23-19)18(28)13-25-9-11-26(12-10-25)20(21)22/h2-8,24H,1,9-13H2,(H3,21,22)
chemicalCompound:standardIn...	PELRQSSXXWUYGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)N1CCN(CC(=O)N2c3ccccc3C(=C)Nc4cccnc24)CC1
chemicalCompound:molecularF...	C20H23N7O
chemicalCompound:moleculeId	1051375
chemicalCompound:mwFreebase	377.443
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	101.58
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.776
chemicalCompound:acdLogD	-0.224
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	377.443
chemicalCompound:acdMostBpk...	13.827
chemicalCompound:chemblId	CHEMBL1628526
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1151375
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:5083988, activity:5084089, activity:5084196, activity:5084278, activity:5084357