289608

Source:http://linkedlifedata.com/resource/chembl/compound/289608

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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/C23H34ClN5O4/c1-33-20-14-19(26)18(24)13-17(20)22(31)27-16-6-11-29(12-7-16)23(32)15-4-9-28(10-5-15)21(30)3-2-8-25/h13-16H,2-12,25-26H2,1H3,(H,27,31)
chemicalCompound:standardIn...	RQNVLUBZLOJGAT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(N)c(Cl)cc1C(=O)NC2CCN(CC2)C(=O)C3CCN(CC3)C(=O)CCCN
chemicalCompound:molecularF...	C23 H34 Cl N5 O4
chemicalCompound:moleculeId	289608
chemicalCompound:mwFreebase	480
chemicalCompound:alogp	-0.197
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	130.99
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.491
chemicalCompound:acdLogP	-0.087
chemicalCompound:acdLogD	-2.506
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	480
chemicalCompound:acdMostBpk...	10.066
chemicalCompound:chemblId	CHEMBL366986
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:389608
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:834972, activity:834973, activity:834974