13659

Source:http://linkedlifedata.com/resource/chembl/compound/13659

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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/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2
chemicalCompound:standardIn...	INPGJMSTKSQOMI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5cccc(c5)C(F)(F)F)n4
chemicalCompound:molecularF...	C25H21F4N5O
chemicalCompound:moleculeId	13659
chemicalCompound:mwFreebase	483.461
chemicalCompound:alogp	5.133
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	64.86
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.258
chemicalCompound:acdLogD	0.811
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	483.461
chemicalCompound:acdMostBpk...	9.909
chemicalCompound:chemblId	CHEMBL275666
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113659
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:1144779, activity:6218551, activity:6218595, activity:7522665, activity:8096201, activity:8096202, activity:8096203, activity:8096204, activity:8096205, activity:8096206, activity:8096207, activity:8096208, activity:8096209, activity:8096210, activity:8096211, activity:8096212, activity:8096213, activity:8096214, activity:8096215, activity:8096216, activity:8096217, activity:8096218, activity:8096219, activity:8096220, activity:8096221, activity:8096222, activity:8096223, activity:8096224, activity:8096225, activity:8096226, activity:8096227, activity:8096228, activity:8096229, activity:8096230, activity:8096231, activity:8096232, activity:8096233, activity:8096234, activity:8096235, activity:8096236, activity:8096237, activity:8096238, activity:8096239, activity:8096240, activity:8096241, activity:8096242, activity:8096243, activity:8096244, activity:8096245, activity:8096246, activity:8096247, activity:8096248, activity:8096249, activity:8096250, activity:8096251, activity:8096252, activity:8096253, activity:8096254, activity:8096255, activity:8096256, activity:8096257, activity:8096258, activity:8096259, activity:8096260, activity:8096261, activity:8096262, activity:8096263