674776

Source:http://linkedlifedata.com/resource/chembl/compound/674776

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:27576
chemicalCompound:synonym	synonym:674776_Methadone_BAN, synonym:674776_Methadone_INN
chemicalCompound:standardIn...	InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H
chemicalCompound:standardIn...	FJQXCDYVZAHXNS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
chemicalCompound:molecularF...	C21H28ClNO
chemicalCompound:moleculeId	674776
chemicalCompound:mwFreebase	309.445
chemicalCompound:alogp	4.459
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	20.31
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.93
chemicalCompound:acdLogD	2.288
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	345.906
chemicalCompound:acdMostBpk...	9.048
chemicalCompound:chemblId	CHEMBL1200825
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774776
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	METHADONE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50140