548720

Source:http://linkedlifedata.com/resource/chembl/compound/548720

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:670373
chemicalCompound:standardIn...	InChI=1S/C13H15N5S.ClH/c1-9-5-3-4-6-10(9)11-16-17-13(19-11)15-12-14-7-8-18(12)2;/h3-6H,7-8H2,1-2H3,(H,14,15,17);1H
chemicalCompound:standardIn...	DOFFBBOTZSQKLE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCN=C1Nc2nnc(s2)c3ccccc3C
chemicalCompound:molecularF...	C13H16ClN5S
chemicalCompound:moleculeId	548720
chemicalCompound:mwFreebase	273.357
chemicalCompound:alogp	2.116
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	81.64
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.293
chemicalCompound:acdLogD	2.174
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	309.818
chemicalCompound:acdMostBpk...	8.298
chemicalCompound:chemblId	CHEMBL556959
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648720
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:751333