674654

Source:http://linkedlifedata.com/resource/chembl/compound/674654

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:2431
chemicalCompound:synonym	synonym:674654_Chlordiazepoxide Hydrochloride_BAN, synonym:674654_Chlordiazepoxide Hydrochloride_JAN, synonym:674654_Chlordiazepoxide Hydrochloride_USAN, synonym:674654_Ro-5-0690_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H14ClN3O.ClH/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;/h2-9H,10H2,1H3,(H,18,19);1H
chemicalCompound:standardIn...	DMLFJMQTNDSRFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3
chemicalCompound:molecularF...	C16H15Cl2N3O
chemicalCompound:moleculeId	674654
chemicalCompound:mwFreebase	299.755
chemicalCompound:alogp	2.297
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	53.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.492
chemicalCompound:acdLogD	2.492
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.216
chemicalCompound:acdMostBpk...	2.378
chemicalCompound:chemblId	CHEMBL1200703
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774654
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	CHLORDIAZEPOXIDE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3612