447450

Source:http://linkedlifedata.com/resource/chembl/compound/447450

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:447450_NVP-TAE684_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
chemicalCompound:standardIn...	QQWUGDVOUVUTOY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5
chemicalCompound:molecularF...	C30H40ClN7O3S
chemicalCompound:moleculeId	447450
chemicalCompound:mwFreebase	614.202
chemicalCompound:alogp	4.067
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	111.31
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.434
chemicalCompound:acdLogD	2.324
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	614.202
chemicalCompound:acdMostBpk...	8.143
chemicalCompound:chemblId	CHEMBL509032
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:547450
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TAE-684
chemicalCompound:activity	activity:2197986, activity:2197987, activity:2197988, activity:2197989, activity:2197990, activity:2197991, activity:2197992, activity:2197993, activity:2197994, activity:2197995, activity:2197996, activity:2197997, activity:2197998, activity:2197999, activity:2198000, activity:2198001, activity:2198002, activity:2198003, activity:2198004, activity:2198005, activity:2198006, activity:2198007, activity:2198008, activity:2198009, activity:2198010, activity:2198011, activity:2198012, activity:2198013, activity:2198014, activity:2198015, activity:2198016, activity:2198017, activity:2198018, activity:2198019, activity:2198020, activity:2198021, activity:2198022, activity:2198023, activity:2198024, activity:2198025, activity:2198026, activity:2198027, activity:2198028, activity:2198029, activity:2198030, activity:2198031, activity:2198032, activity:2198033, activity:2198034, activity:2198035, activity:2198036, activity:2198037, activity:2198038, activity:2198039, activity:2198040, activity:2198041, activity:2198042, activity:2198043, activity:2198044, activity:2198045, activity:2198046, activity:2198047, activity:2198048, activity:2198049, activity:2198050