262573

Source:http://linkedlifedata.com/resource/chembl/compound/262573

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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/C22H27N3O3/c1-4-27-22(26)24-21-23-20(14-25(21)16(2)3)18-10-12-19(13-11-18)28-15-17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,23,24,26)
chemicalCompound:standardIn...	MGSPLVJUACTLEM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)NC1=NC(CN1C(C)C)c2ccc(OCc3ccccc3)cc2
chemicalCompound:molecularF...	C22 H27 N3 O3
chemicalCompound:moleculeId	262573
chemicalCompound:mwFreebase	381.468
chemicalCompound:alogp	4.336
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	63.16
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.304
chemicalCompound:acdLogP	4.149
chemicalCompound:acdLogD	3.656
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	381.468
chemicalCompound:acdMostBpk...	7.738
chemicalCompound:chemblId	CHEMBL156211
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362573
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:803084