154009

Source:http://linkedlifedata.com/resource/chembl/compound/154009

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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/C26H30ClN5O4/c27-23-17-30-25-26(34)32(23)18-24(33)29-15-20-8-4-5-9-22(20)36-13-12-35-11-10-28-16-21(31-25)14-19-6-2-1-3-7-19/h1-9,17,21,28H,10-16,18H2,(H,29,33)(H,30,31)/t21-/m0/s1
chemicalCompound:standardIn...	AVJHADKKBIXATH-NRFANRHFSA-N
chemicalCompound:canonicalS...	ClC1=CN=C2N[C@@H](Cc3ccccc3)CNCCOCCOc4ccccc4CNC(=O)CN1C2=O
chemicalCompound:molecularF...	C26 H30 Cl N5 O4
chemicalCompound:moleculeId	154009
chemicalCompound:mwFreebase	512
chemicalCompound:alogp	1.282
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	104.29
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.509
chemicalCompound:acdLogP	2.375
chemicalCompound:acdLogD	0.885
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	512
chemicalCompound:acdMostBpk...	8.594
chemicalCompound:chemblId	CHEMBL96599
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:254009
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:533325, activity:533326, activity:533327, activity:533328, activity:533329, activity:533330