708331

Source:http://linkedlifedata.com/resource/chembl/compound/708331

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:708331_BQ-123_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1
chemicalCompound:standardIn...	VYCMAAOURFJIHD-AOYLRGCGSA-N
chemicalCompound:canonicalS...	CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC1=O)C(C)C
chemicalCompound:molecularF...	C31H42N6O7
chemicalCompound:moleculeId	708331
chemicalCompound:mwFreebase	610.701
chemicalCompound:alogp	1.343
chemicalCompound:hba	7
chemicalCompound:hbd	6
chemicalCompound:psa	189.79
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.037
chemicalCompound:acdLogP	0.831
chemicalCompound:acdLogD	-2.382
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	610.701
chemicalCompound:chemblId	CHEMBL1269102
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:808331
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	BQ-123
chemicalCompound:activity	activity:164903, activity:164904, activity:164905, activity:164906, activity:380427, activity:380428, activity:380429, activity:380430, activity:380431, activity:592626, activity:592627, activity:809477, activity:809478, activity:809479, activity:814384, activity:858388, activity:858389, activity:970566, activity:977015, activity:977016, activity:3526695, activity:5084326, activity:5084559