674826

Source:http://linkedlifedata.com/resource/chembl/compound/674826

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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:418484
chemicalCompound:synonym	synonym:674826_DW-61_RESEARCH_CODE, synonym:674826_Flavoxate Hydrochloride_JAN, synonym:674826_Flavoxate Hydrochloride_USAN, synonym:674826_Flavoxate_BAN, synonym:674826_Flavoxate_FDA_ALTERNATIVE_NAME, synonym:674826_Flavoxate_INN
chemicalCompound:standardIn...	InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H
chemicalCompound:standardIn...	XOEVKNFZUQEERE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4
chemicalCompound:molecularF...	C24H26ClNO4
chemicalCompound:moleculeId	674826
chemicalCompound:mwFreebase	391.46
chemicalCompound:alogp	4.494
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	55.84
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.273
chemicalCompound:acdLogD	3.412
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	427.921
chemicalCompound:acdMostBpk...	8.2
chemicalCompound:chemblId	CHEMBL1200875
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774826
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	FLAVOXATE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:5089
chemicalCompound:activity	activity:2328602, activity:2329884