785461

Source:http://linkedlifedata.com/resource/chembl/compound/785461

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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/C26H32FN5OS/c27-21-7-2-3-8-23(21)31-17-15-30(16-18-31)12-6-11-28-25(33)20-9-10-22-24(19-20)34-26(29-22)32-13-4-1-5-14-32/h2-3,7-10,19H,1,4-6,11-18H2,(H,28,33)
chemicalCompound:standardIn...	UHCCYFSSSFLRNA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccccc1N2CCN(CCCNC(=O)c3ccc4nc(sc4c3)N5CCCCC5)CC2
chemicalCompound:molecularF...	C26H32FN5OS
chemicalCompound:moleculeId	785461
chemicalCompound:mwFreebase	481.629
chemicalCompound:alogp	4.159
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	79.95
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.686
chemicalCompound:acdLogD	2.543
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	481.629
chemicalCompound:acdMostBpk...	7.347
chemicalCompound:chemblId	CHEMBL1361577
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:885461
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:3813100, activity:3866677, activity:4846047, activity:4886686, activity:4953983, activity:5347965, activity:5396566, activity:5431614, activity:5703208, activity:7339711, activity:7408902, activity:7433088