844403

Source:http://linkedlifedata.com/resource/chembl/compound/844403

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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/C23H22N4S/c1-16-7-6-12-27(14-16)22-20-19(17-8-3-2-4-9-17)15-28-23(20)26-21(25-22)18-10-5-11-24-13-18/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3
chemicalCompound:standardIn...	CIKJUBWQMFXUKK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CCCN(C1)c2nc(nc3scc(c4ccccc4)c23)c5cccnc5
chemicalCompound:molecularF...	C23H22N4S
chemicalCompound:moleculeId	844403
chemicalCompound:mwFreebase	386.513
chemicalCompound:alogp	4.417
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	70.15
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.814
chemicalCompound:acdLogD	5.813
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.513
chemicalCompound:acdMostBpk...	4.161
chemicalCompound:chemblId	CHEMBL1420519
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:944403
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:3702451, activity:3987607, activity:4029778, activity:4074805, activity:4201367, activity:4436545, activity:4805855, activity:5607244, activity:5913644, activity:6461151, activity:6576653, activity:6620355, activity:7007914, activity:7215262, activity:7334974, activity:7430222, activity:8995592, activity:9693712