546715

Source:http://linkedlifedata.com/resource/chembl/compound/546715

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:24971
chemicalCompound:synonym	synonym:546715_GBR-12909_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C28H32F2N2O.ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;/h1-3,5-6,8-15,28H,4,7,16-22H2;1H
chemicalCompound:standardIn...	VAHMWGICKYTGSY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4
chemicalCompound:molecularF...	C28H33ClF2N2O
chemicalCompound:moleculeId	546715
chemicalCompound:mwFreebase	450.563
chemicalCompound:alogp	6.114
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	15.71
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.346
chemicalCompound:acdLogD	4.926
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	487.024
chemicalCompound:acdMostBpk...	7.549
chemicalCompound:chemblId	CHEMBL542933
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646715
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:956450, activity:956451, activity:956452, activity:1611138, activity:3473340, activity:3481381, activity:3481411, activity:3481545, activity:3482357, activity:3482386, activity:3482405, activity:3482552, activity:3693655, activity:4418658, activity:4956172, activity:4974248, activity:5356798, activity:5406242, activity:5406839, activity:5455630, activity:6192541, activity:6192563, activity:6192585, activity:6686439, activity:7030853, activity:7047215, activity:7280673, activity:7473866, activity:7959901, activity:7959922, activity:7959935, activity:7959948, activity:7959961, activity:8278539, activity:10302343, activity:10672827