674443

Source:http://linkedlifedata.com/resource/chembl/compound/674443

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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:26465
chemicalCompound:synonym	synonym:674443_BMY-13754_RESEARCH_CODE, synonym:674443_MJ-13754-1_RESEARCH_CODE, synonym:674443_Nefazodone Hydrochloride_USAN, synonym:674443_Nefazodone_BAN, synonym:674443_Nefazodone_INN
chemicalCompound:standardIn...	InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H
chemicalCompound:standardIn...	DYCKFEBIOUQECE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCC1=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C(=O)N1CCOc4ccccc4
chemicalCompound:molecularF...	C25H33Cl2N5O2
chemicalCompound:moleculeId	674443
chemicalCompound:mwFreebase	470.007
chemicalCompound:alogp	4.415
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	51.62
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.09
chemicalCompound:acdLogD	3.885
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	506.468
chemicalCompound:acdMostBpk...	7.653
chemicalCompound:chemblId	CHEMBL1200492
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774443
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	NEFAZODONE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:7495
chemicalCompound:firstAppro...	1994
chemicalCompound:activity	activity:3649615, activity:4026199, activity:4552453, activity:4920846, activity:5399780, activity:5462239, activity:5816936, activity:6446760, activity:6995189, activity:7024982