583259

Source:http://linkedlifedata.com/resource/chembl/compound/583259

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C29H33N7O5/c1-18-12-19-14-22(7-8-24(19)41-18)32-29(34-27(39)21-13-20(26(30)38)15-31-16-21)33-23-6-2-3-11-36(28(23)40)17-25(37)35-9-4-5-10-35/h7-8,12-16,23H,2-6,9-11,17H2,1H3,(H2,30,38)(H2,32,33,34,39)/t23-/m0/s1
chemicalCompound:standardIn...	IBABQVTVKGTVDW-QHCPKHFHSA-N
chemicalCompound:canonicalS...	Cc1oc2ccc(N\C(=N/C(=O)c3cncc(c3)C(=O)N)\N[C@H]4CCCCN(CC(=O)N5CCCC5)C4=O)cc2c1
chemicalCompound:molecularF...	C29H33N7O5
chemicalCompound:moleculeId	583259
chemicalCompound:mwFreebase	559.616
chemicalCompound:alogp	1
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	163.23
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.391
chemicalCompound:acdLogD	2.39
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	559.616
chemicalCompound:acdMostBpk...	1.546
chemicalCompound:chemblId	CHEMBL577965
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:683259
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:2991346, activity:2991347, activity:2991366, activity:2991367, activity:2991368