1068584

Source:http://linkedlifedata.com/resource/chembl/compound/1068584

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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/C39H43ClFN11O3/c1-48(2)13-3-12-43-35(53)24-51-23-25(20-45-51)22-49-14-16-50(17-15-49)34-19-32(33(40)21-44-34)39(55)46-28-8-4-26-5-11-30-36(38(42)54)47-52(37(30)31(26)18-28)29-9-6-27(41)7-10-29/h4,6-10,18-21,23H,3,5,11-17,22,24H2,1-2H3,(H2,42,54)(H,43,53)(H,46,55)
chemicalCompound:standardIn...	WGJQSCOYVYETDZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCNC(=O)Cn1cc(CN2CCN(CC2)c3cc(C(=O)Nc4ccc5CCc6c(nn(c7ccc(F)cc7)c6c5c4)C(=O)N)c(Cl)cn3)cn1
chemicalCompound:molecularF...	C39H43ClFN11O3
chemicalCompound:moleculeId	1068584
chemicalCompound:mwFreebase	768.282
chemicalCompound:alogp	4.554
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	159.54
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.218
chemicalCompound:acdLogP	1.295
chemicalCompound:acdLogD	-0.698
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	768.282
chemicalCompound:acdMostBpk...	9.417
chemicalCompound:chemblId	CHEMBL1669607
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1168584
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:5195734, activity:5195773, activity:5195812, activity:5195846, activity:5195868