21859

Source:http://linkedlifedata.com/resource/chembl/compound/21859

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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/C16H16ClN5O/c1-2-12-19-13-14(20-12)22(9-10-3-5-11(17)6-4-10)16-18-7-8-21(16)15(13)23/h3-6H,2,7-9H2,1H3,(H,19,20)
chemicalCompound:standardIn...	GLPRYGOIJNWIMX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1nc2C(=O)N3CCN=C3N(Cc4ccc(Cl)cc4)c2[nH]1
chemicalCompound:molecularF...	C16 H16 Cl N5 O
chemicalCompound:moleculeId	21859
chemicalCompound:mwFreebase	329.784
chemicalCompound:alogp	2.671
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	64.59
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.551
chemicalCompound:acdLogP	1.977
chemicalCompound:acdLogD	1.977
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.784
chemicalCompound:acdMostBpk...	3.136
chemicalCompound:chemblId	CHEMBL18889
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121859
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:51502, activity:51503