674912

Source:http://linkedlifedata.com/resource/chembl/compound/674912

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:54051
chemicalCompound:synonym	synonym:674912_Brompheniramine fumarate_BAN, synonym:674912_Brompheniramine fumarate_INN
chemicalCompound:standardIn...	InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
chemicalCompound:standardIn...	SRGKFVAASLQVBO-BTJKTKAUSA-N
chemicalCompound:canonicalS...	CN(C)CCC(c1ccc(Br)cc1)c2ccccn2.OC(=O)\C=C/C(=O)O
chemicalCompound:molecularF...	C20H23BrN2O4
chemicalCompound:moleculeId	674912
chemicalCompound:mwFreebase	319.239
chemicalCompound:alogp	3.78
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	16.13
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.237
chemicalCompound:acdLogD	1.304
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	435.312
chemicalCompound:acdMostBpk...	9.329
chemicalCompound:chemblId	CHEMBL1200961
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774912
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BROMPHENIRAMINE FUMARATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3184
chemicalCompound:activity	activity:3473284, activity:3481274, activity:3489245, activity:3489334, activity:3490216, activity:3490217, activity:3490218, activity:3490219, activity:3635152, activity:3988157, activity:4278602, activity:4535906, activity:4636907, activity:5316016, activity:5316543, activity:5529364, activity:5631941, activity:5823663, activity:5862787, activity:6621094, activity:6717872, activity:7012592, activity:7027618, activity:7101487, activity:7487853, activity:7839438