568908

Source:http://linkedlifedata.com/resource/chembl/compound/568908

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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/C26H32F2N4/c27-19-10-11-22(28)25(16-19)31-30-24-13-12-23(20-7-1-2-8-21(20)24)29-17-18-6-5-15-32-14-4-3-9-26(18)32/h10-13,16,18,26,29H,1-9,14-15,17H2/b31-30+/t18-,26+/m0/s1
chemicalCompound:standardIn...	NRYPQEYHVKMSLF-PJNPWKEYSA-N
chemicalCompound:canonicalS...	Fc1ccc(F)c(c1)N=Nc2ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c5CCCCc25
chemicalCompound:molecularF...	C26H32F2N4
chemicalCompound:moleculeId	568908
chemicalCompound:mwFreebase	438.556
chemicalCompound:alogp	7.572
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	39.99
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.023
chemicalCompound:acdLogD	3.405
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	438.556
chemicalCompound:acdMostBpk...	10.26
chemicalCompound:chemblId	CHEMBL575208
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668908
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:2913538, activity:2913596, activity:2913654, activity:2913712, activity:2913770, activity:2914200, activity:2914258, activity:2914291, activity:2914349, activity:2914407, activity:2914421, activity:2914433, activity:2914445, activity:2914464