674377

Source:http://linkedlifedata.com/resource/chembl/compound/674377

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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:675293
chemicalCompound:synonym	synonym:674377_Methixene Hydrochloride_USAN, synonym:674377_Metixene Hydrochloride_JAN, synonym:674377_Metixene_BAN, synonym:674377_Metixene_INN, synonym:674377_SJ-1977_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2
chemicalCompound:standardIn...	RAOHHYUBMJLHNC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O.Cl.CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1
chemicalCompound:molecularF...	C20H26ClNOS
chemicalCompound:moleculeId	674377
chemicalCompound:mwFreebase	309.468
chemicalCompound:alogp	5.073
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	28.54
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.662
chemicalCompound:acdLogD	3.638
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	363.945
chemicalCompound:acdMostBpk...	9.458
chemicalCompound:chemblId	CHEMBL1200426
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774377
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	METHIXENE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:51025
chemicalCompound:activity	activity:5499329, activity:5595545, activity:6583177, activity:7019263, activity:7189114