1030388

Source:http://linkedlifedata.com/resource/chembl/compound/1030388

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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:1048432
chemicalCompound:standardIn...	InChI=1S/C16H17BrClNO.C2H2O4/c17-15-11-14(18)7-8-16(15)20-10-4-9-19-12-13-5-2-1-3-6-13;3-1(4)2(5)6/h1-3,5-8,11,19H,4,9-10,12H2;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	DEVQOOFUNMDMCY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C(=O)O.Clc1ccc(OCCCNCc2ccccc2)c(Br)c1
chemicalCompound:molecularF...	C18H19BrClNO5
chemicalCompound:moleculeId	1030388
chemicalCompound:mwFreebase	354.669
chemicalCompound:alogp	4.475
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.157
chemicalCompound:acdLogD	3.275
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	444.704
chemicalCompound:acdMostBpk...	9.303
chemicalCompound:chemblId	CHEMBL1606504
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1130388
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:3624535, activity:3954291, activity:4007332, activity:4127526, activity:4302622, activity:4361267, activity:4404618, activity:4414503, activity:4431353, activity:4564872, activity:4682323, activity:4690281, activity:4940520, activity:4992627, activity:5018958, activity:5019930, activity:5359428, activity:5757035, activity:5823612, activity:5865520, activity:6592039, activity:7023608, activity:7280843, activity:7422825, activity:7492621