296217

Source:http://linkedlifedata.com/resource/chembl/compound/296217

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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/C22H25ClN6O5/c1-24-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(23)28-19(14)29)25-8-10-6-11(33-2)4-5-13(10)34-3/h4-6,9,12,15-17,30-31H,7-8H2,1-3H3,(H,24,32)(H,25,27,28)/t12-,15-,16+,17+,22+/m1/s1
chemicalCompound:standardIn...	ABUUWIZJEMSEFP-DHTGQPOCSA-N
chemicalCompound:canonicalS...	CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n3cnc4c(NCc5cc(OC)ccc5OC)nc(Cl)nc34
chemicalCompound:molecularF...	C22 H25 Cl N6 O5
chemicalCompound:moleculeId	296217
chemicalCompound:mwFreebase	488.924
chemicalCompound:alogp	1
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	143.65
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.306
chemicalCompound:acdLogP	1.241
chemicalCompound:acdLogD	1.241
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	488.924
chemicalCompound:acdMostBpk...	0.266
chemicalCompound:chemblId	CHEMBL178846
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:396217
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:1400063, activity:1400131, activity:1400132, activity:1400133, activity:1400134, activity:1400135, activity:2167171, activity:2167181, activity:2167192, activity:2167203, activity:2167218, activity:2167229, activity:2167240, activity:2167251, activity:2167269, activity:2167277, activity:2167286, activity:2167388