674749

Source:http://linkedlifedata.com/resource/chembl/compound/674749

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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:26401
chemicalCompound:synonym	synonym:674749_AF-1161_RESEARCH_CODE, synonym:674749_Trazodone Hydrochloride_JAN, synonym:674749_Trazodone Hydrochloride_USAN, synonym:674749_Trazodone_BAN, synonym:674749_Trazodone_INN
chemicalCompound:standardIn...	InChI=1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H
chemicalCompound:standardIn...	OHHDIOKRWWOXMT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2
chemicalCompound:molecularF...	C19H23Cl2N5O
chemicalCompound:moleculeId	674749
chemicalCompound:mwFreebase	371.864
chemicalCompound:alogp	2.418
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	42.39
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.756
chemicalCompound:acdLogD	2.582
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.325
chemicalCompound:acdMostBpk...	7.517
chemicalCompound:chemblId	CHEMBL1200798
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774749
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TRAZODONE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:9655
chemicalCompound:activity	activity:3473405, activity:3489416, activity:3704889, activity:3708782, activity:3734246, activity:3746430, activity:3897395, activity:3974276, activity:4183352, activity:4191246, activity:4223005, activity:4279551, activity:4536320, activity:4764971, activity:4780155, activity:4805103, activity:5316126, activity:5316783, activity:5582852, activity:5689982, activity:6646702, activity:6794982, activity:6895073, activity:7012677, activity:7110558, activity:7463590, activity:7551568, activity:7553210