13762

Source:http://linkedlifedata.com/resource/chembl/compound/13762

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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/C24H21F2N5O/c25-17-7-5-16(6-8-17)22-23(31(15-29-22)18-9-12-27-13-10-18)20-11-14-28-24(30-20)32-21-4-2-1-3-19(21)26/h1-8,11,14-15,18,27H,9-10,12-13H2
chemicalCompound:standardIn...	DTSCAJVWSSGYIS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccccc5F)n4
chemicalCompound:molecularF...	C24 H21 F2 N5 O
chemicalCompound:moleculeId	13762
chemicalCompound:mwFreebase	433.453
chemicalCompound:alogp	4.396
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	64.86
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.908
chemicalCompound:acdLogD	-0.539
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	433.453
chemicalCompound:acdMostBpk...	9.909
chemicalCompound:chemblId	CHEMBL14329
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113762
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:1173541, activity:6218528, activity:6218572