283146

Source:http://linkedlifedata.com/resource/chembl/compound/283146

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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/C21H25N5O3S/c22-21-23-18-12-16-2-1-7-25(20(16)13-19(18)24-21)14-15-3-5-17(6-4-15)30(27,28)26-8-10-29-11-9-26/h3-6,12-13H,1-2,7-11,14H2,(H3,22,23,24)
chemicalCompound:standardIn...	ZMOFGXPGBKVGSP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N5CCOCC5)c3cc2[nH]1
chemicalCompound:molecularF...	C21 H25 N5 O3 S
chemicalCompound:moleculeId	283146
chemicalCompound:mwFreebase	427.52
chemicalCompound:alogp	2.221
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	112.93
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.78
chemicalCompound:acdLogP	1.114
chemicalCompound:acdLogD	0.149
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	427.52
chemicalCompound:acdMostBpk...	8.05
chemicalCompound:chemblId	CHEMBL168524
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:383146
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:648053, activity:648054, activity:648055, activity:648056, activity:648057, activity:648058, activity:648059, activity:648060, activity:648061