546658

Source:http://linkedlifedata.com/resource/chembl/compound/546658

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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:standardIn...	InChI=1S/C28H32F2N2O.2ClH/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;2*1H
chemicalCompound:standardIn...	MIBSKSYCRFWIRU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4
chemicalCompound:molecularF...	C28H34Cl2F2N2O
chemicalCompound:moleculeId	546658
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	523.485
chemicalCompound:acdMostBpk...	7.549
chemicalCompound:chemblId	CHEMBL543876
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646658
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:997721, activity:1468167, activity:1468168, activity:1468169, activity:1468170, activity:1468171, activity:1468172, activity:1468173, activity:1468174, activity:3630478, activity:3634053, activity:3695022, activity:3773939, activity:3872996, activity:3897070, activity:3926516, activity:3940420, activity:3987100, activity:4008969, activity:4084616, activity:4129969, activity:4278337, activity:4358168, activity:4402370, activity:4412181, activity:4535661, activity:4537535, activity:4539737, activity:4741925, activity:4753514, activity:4904462, activity:4909927, activity:4962374, activity:5061194, activity:5069129, activity:5569922, activity:5685861, activity:5874954, activity:5983352, activity:7005006, activity:7362959, activity:7508521