553509

Source:http://linkedlifedata.com/resource/chembl/compound/553509

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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:40702
chemicalCompound:synonym	synonym:553509_Bestatin hydrochloride_TRADE_NAME, synonym:553509_Ubenimex_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C16H24N2O4.ClH/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11;/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22);1H/t12-,13+,14+;/m1./s1
chemicalCompound:standardIn...	XGDFITZJGKUSDK-UDYGKFQRSA-N
chemicalCompound:canonicalS...	Cl.CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O
chemicalCompound:molecularF...	C16H25ClN2O4
chemicalCompound:moleculeId	553509
chemicalCompound:mwFreebase	308.373
chemicalCompound:alogp	-1.34
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	112.65
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.276
chemicalCompound:acdLogP	0.995
chemicalCompound:acdLogD	-1.709
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	344.834
chemicalCompound:acdMostBpk...	6.868
chemicalCompound:chemblId	CHEMBL538595
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:653509
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BESTATIN HYDROCHLORIDE
chemicalCompound:activity	activity:109845, activity:109846, activity:109847, activity:109848, activity:109849, activity:2001422, activity:2001423, activity:2001424, activity:2001437, activity:2001443, activity:2001449, activity:2001451, activity:3473939, activity:3482629, activity:3482710, activity:3483494, activity:3483575, activity:3483655, activity:3483736, activity:3483817, activity:3634913, activity:3648575, activity:3695177, activity:3988066, activity:4278521, activity:4358337, activity:4402451, activity:4535834, activity:4538198, activity:4715389, activity:4835912, activity:4904827, activity:4966375, activity:5681298, activity:5855577, activity:5874971, activity:6509088, activity:7129128