827864

Source:http://linkedlifedata.com/resource/chembl/compound/827864

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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/C19H18BrClFNO3/c1-25-16-7-11-5-6-23(18(24)10-21)19(13(11)9-17(16)26-2)14-8-12(20)3-4-15(14)22/h3-4,7-9,19H,5-6,10H2,1-2H3
chemicalCompound:standardIn...	NWOYVUWTTVJPLW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl
chemicalCompound:molecularF...	C19H18BrClFNO3
chemicalCompound:moleculeId	827864
chemicalCompound:mwFreebase	442.707
chemicalCompound:alogp	4.303
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.251
chemicalCompound:acdLogD	4.251
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.707
chemicalCompound:chemblId	CHEMBL1403980
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:927864
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:3698310, activity:3818247, activity:3895950, activity:3952494, activity:4088523, activity:4304189, activity:4323516, activity:4395245, activity:4576581, activity:4584886, activity:4705745, activity:4771430, activity:4815028, activity:4847664, activity:4899425, activity:4905560, activity:5366577, activity:5407978, activity:5586415, activity:5671863, activity:5702624, activity:5781954, activity:5976780, activity:6441573, activity:6551288, activity:6585812, activity:6753992, activity:6834933, activity:7056646, activity:7073302, activity:7181053, activity:7198810, activity:7283594, activity:7443422, activity:9821089, activity:10660032