456005

Source:http://linkedlifedata.com/resource/chembl/compound/456005

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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:456005_BMS-561392_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H32N4O4/c1-17(2)14-24(25(32)30-34)31-13-12-27(28,26(31)33)20-8-10-21(11-9-20)35-16-19-15-18(3)29-23-7-5-4-6-22(19)23/h4-11,15,17,24,34H,12-14,16,28H2,1-3H3,(H,30,32)/t24-,27-/m1/s1
chemicalCompound:standardIn...	QVNZBDLTUKCPGJ-SHQCIBLASA-N
chemicalCompound:canonicalS...	CC(C)C[C@@H](N1CC[C@](N)(C1=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NO
chemicalCompound:molecularF...	C27H32N4O4
chemicalCompound:moleculeId	456005
chemicalCompound:mwFreebase	476.567
chemicalCompound:alogp	2.799
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	117.78
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.377
chemicalCompound:acdLogP	5.317
chemicalCompound:acdLogD	4.848
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	476.567
chemicalCompound:acdMostBpk...	7.551
chemicalCompound:chemblId	CHEMBL489100
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:556005
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2392696, activity:2392697, activity:2392698, activity:2392699, activity:2392700, activity:2392701